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CAS 1156831-47-8 [1-(2-Amino-1,1-dimethyl-ethyl)-piperidin-4-yl]-dimethyl-amine molecular structure lightbox
CAS RN: 1156831-47-8

[1-(2-Amino-1,1-dimethyl-ethyl)-piperidin-4-yl]-dimethyl-amine

  • Product code: SSC-015468
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1156831-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1156831-47-8 / 1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine

1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine | RefChem:419620 | 830-866-2

Standard CAS: 1156831-47-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1156831-47-8
Multi CAS
No
Molecular Formula
C11H25N3
Molecular Weight
199.340000
Exact Mass
199.204848
SMILES
CC(C)(CN)N1CCC(CC1)N(C)C
InChI
InChI=1S/C11H25N3/c1-11(2,9-12)14-7-5-10(6-8-14)13(3)4/h10H,5-9,12H2,1-4H3
InChIKey
WLYOASQGGIPUOA-UHFFFAOYSA-N
Synonyms
1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine RefChem:419620 830-866-2 MFCD12143440 AKOS009601654

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.42
TPSA
32.5

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501

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