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CAS 1207267-92-2 4-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1), (3R,4R)-rel- molecular structure lightbox
CAS RN: 1207267-92-2

4-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1), (3R,4R)-rel-

  • Product code: SSC-021918
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1207267-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

1207267-92-2 / (3R,4R)-3-methylpiperidine-4-carboxylic acid;hydrochloride

3-methylpiperidine-4-carboxylic acid hydrochloride | RefChem:504320 | 874-771-4

Standard CAS: 1207267-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207267-92-2
Multi CAS
Yes
Molecular Formula
C7H14ClNO2
Molecular Weight
179.640000
Exact Mass
179.071306
SMILES
C[C@H]1CNCC[C@H]1C(=O)O.Cl
InChI
InChI=1S/C7H13NO2.ClH/c1-5-4-8-3-2-6(5)7(9)10;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6+;/m0./s1
InChIKey
IFRKXMIEHXHLNL-RIHPBJNCSA-N
Synonyms
3-methylpiperidine-4-carboxylic acid hydrochloride RefChem:504320 874-771-4 3-methylpiperidine-4-carboxylic acid hcl 3-methyl-4-carboxy piperidine hydrochloride

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
45.02
TPSA
49.33

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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