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CAS 1205749-97-8 3-Methylpiperidine-3-carbonitrile hydrochloride molecular structure lightbox
CAS RN: 1205749-97-8

3-Methylpiperidine-3-carbonitrile hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021601
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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: >95%
  • 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 1205749-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

1205749-97-8 / 3-methylpiperidine-3-carbonitrile;hydrochloride

3-methylpiperidine-3-carbonitrile hydrochloride | MFCD12406587 | 3-methylpiperidine-3-carbonitrile;hydrochloride

Standard CAS: 1205749-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1205749-97-8
Multi CAS
No
Molecular Formula
C7H13ClN2
Molecular Weight
160.640000
Exact Mass
160.076726
SMILES
CC1(CCCNC1)C#N.Cl
InChI
InChI=1S/C7H12N2.ClH/c1-7(5-8)3-2-4-9-6-7;/h9H,2-4,6H2,1H3;1H
InChIKey
AGURFPBGAFCODY-UHFFFAOYSA-N
Synonyms
3-methylpiperidine-3-carbonitrile hydrochloride MFCD12406587 3-methylpiperidine-3-carbonitrile;hydrochloride 3-CYANO-3-METHYLPIPERIDINE HCL 3-Methylpiperidine-3-carbonitrile, HCl

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.07
TPSA
35.82

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.76

Drug-likeness / Medicinal Chemistry

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

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