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CAS 1236263-43-6 N-Methyl-2-piperidinecarboxaMide HCl molecular structure lightbox
CAS RN: 1236263-43-6

N-Methyl-2-piperidinecarboxaMide HCl

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Batchno.20260210 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1236263-43-6
  • Purity/Analytical Methods: >99.0%
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1236263-43-6 / N-methylpiperidine-2-carboxamide;hydrochloride

Standard CAS: 1236263-43-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1236263-43-6
Multi CAS
No
Molecular Formula
C7H15ClN2O
Molecular Weight
178.660000
Exact Mass
178.087291
SMILES
CNC(=O)C1CCCCN1.Cl
InChI
InChI=1S/C7H14N2O.ClH/c1-8-7(10)6-4-2-3-5-9-6;/h6,9H,2-5H2,1H3,(H,8,10);1H
InChIKey
LIYLDMRWNXZMTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.96
TPSA
41.13

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.6

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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