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CAS 2173991-95-0 1-tert-butylpiperidine-4-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 2173991-95-0

1-tert-butylpiperidine-4-carboxylic acid hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-104937
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2173991-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2173991-95-0 / 1-tert-butylpiperidine-4-carboxylic acid;hydrochloride

Standard CAS: 2173991-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173991-95-0
Multi CAS
No
Molecular Formula
C10H20ClNO2
Molecular Weight
221.720000
Exact Mass
221.118257
SMILES
CC(C)(C)N1CCC(CC1)C(=O)O.Cl
InChI
InChI=1S/C10H19NO2.ClH/c1-10(2,3)11-6-4-8(5-7-11)9(12)13;/h8H,4-7H2,1-3H3,(H,12,13);1H
InChIKey
LFAQLAPENPROSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.93
TPSA
40.54

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.65

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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