CAS RN: 155106-16-4

(R)-2-Methylpiperidine hydrochloride

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Batchno.20250312 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS155106-16-4
  • Purity/Analytical Methods: >99.0%
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155106-16-4 / (2R)-2-methylpiperidine;hydrochloride

Standard CAS: 155106-16-4 Multi CAS: No

Basic Information

CAS
155106-16-4
Multi CAS
No
Molecular Formula
C6H14ClN
Molecular Weight
135.630000
Exact Mass
135.081477
SMILES
C[C@@H]1CCCCN1.Cl
InChI
InChI=1S/C6H13N.ClH/c1-6-4-2-3-5-7-6;/h6-7H,2-5H2,1H3;1H/t6-;/m1./s1
InChIKey
BILCQNXKQKRGAO-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.56
TPSA
12.03

LogP / Solubility

WLOGP
1.57
MLOGP
1.37
XLogP3
1.57
Consensus LogP
1.5
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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] 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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