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CAS 1190314-13-6 methyl 4-methoxypiperidine-4-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1190314-13-6

methyl 4-methoxypiperidine-4-carboxylate hydrochloride

  • Product code: SSC-019349
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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, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1190314-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1190314-13-6 / methyl 4-methoxypiperidine-4-carboxylate;hydrochloride

methyl 4-methoxypiperidine-4-carboxylate hydrochloride | MFCD12962559 | methyl 4-methoxypiperidine-4-carboxylate;hydrochloride

Standard CAS: 1190314-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190314-13-6
Multi CAS
No
Molecular Formula
C8H16ClNO3
Molecular Weight
209.670000
Exact Mass
209.081871
SMILES
COC(=O)C1(CCNCC1)OC.Cl
InChI
InChI=1S/C8H15NO3.ClH/c1-11-7(10)8(12-2)3-5-9-6-4-8;/h9H,3-6H2,1-2H3;1H
InChIKey
NAWYASCTCVIUMY-UHFFFAOYSA-N
Synonyms
methyl 4-methoxypiperidine-4-carboxylate hydrochloride MFCD12962559 methyl 4-methoxypiperidine-4-carboxylate;hydrochloride 4-Piperidinecarboxylic acid, 4-methoxy-, methyl ester, hydrochloride (1:1) SCHEMBL14964736

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.11
TPSA
47.56

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.35
Consensus LogP
0.34
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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