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CAS 132740-50-2 1-CYCLOPENTYL-4-AMINOPIPERIDINE molecular structure lightbox
CAS RN: 132740-50-2

1-CYCLOPENTYL-4-AMINOPIPERIDINE

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  • Product code: starshine_CAS132740-50-2
  • Purity/Analytical Methods: >99.0%
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132740-50-2 / 1-cyclopentylpiperidin-4-amine

Standard CAS: 132740-50-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132740-50-2
Multi CAS
No
Molecular Formula
C10H20N2
Molecular Weight
168.280000
Exact Mass
168.162649
SMILES
C1CCC(C1)N2CCC(CC2)N
InChI
InChI=1S/C10H20N2/c11-9-5-7-12(8-6-9)10-3-1-2-4-10/h9-10H,1-8,11H2
InChIKey
HJJXAKRPWXVQGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.04
TPSA
29.26

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.79

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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