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CAS 1185126-95-7 4-PiperidinepropanaMide,hydrochloride molecular structure lightbox
CAS RN: 1185126-95-7

4-PiperidinepropanaMide,hydrochloride

  • Product code: SSC-018324
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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: 5g
  • 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 1185126-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1185126-95-7 / 3-piperidin-4-ylpropanamide;hydrochloride

DTXSID50670732 | 3-(Piperidin-4-yl)propanamide--hydrogen chloride (1/1) | RefChem:495902

Standard CAS: 1185126-95-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185126-95-7
Multi CAS
No
Molecular Formula
C8H17ClN2O
Molecular Weight
192.680000
Exact Mass
192.102941
SMILES
C1CNCCC1CCC(=O)N.Cl
InChI
InChI=1S/C8H16N2O.ClH/c9-8(11)2-1-7-3-5-10-6-4-7;/h7,10H,1-6H2,(H2,9,11);1H
InChIKey
QTDBLNIEHRZWQT-UHFFFAOYSA-N
Synonyms
DTXSID50670732 3-(Piperidin-4-yl)propanamide--hydrogen chloride (1/1) RefChem:495902 DTXCID50621481 3-(Piperidin-4-yl)propanamide hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.27
TPSA
55.12

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.67
Consensus LogP
0.64
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.42

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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