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CAS 1203683-26-4 Piperidine, 3-(4-broMophenyl)-, hydrochloride molecular structure lightbox
CAS RN: 1203683-26-4

Piperidine, 3-(4-broMophenyl)-, hydrochloride

  • Product code: SSC-021284
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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 1203683-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1203683-26-4 / 3-(4-bromophenyl)piperidine;hydrochloride

3-(4-bromophenyl)piperidine hydrochloride | 3-(4-Bromo-phenyl)-piperidine hydrochloride | 3-(4-bromophenyl)piperidine;hydrochloride

Standard CAS: 1203683-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203683-26-4
Multi CAS
No
Molecular Formula
C11H15BrClN
Molecular Weight
276.600000
Exact Mass
275.007640
SMILES
C1CC(CNC1)C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C11H14BrN.ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;/h3-6,10,13H,1-2,7-8H2;1H
InChIKey
PUVMREVNYDUTMM-UHFFFAOYSA-N
Synonyms
3-(4-bromophenyl)piperidine hydrochloride 3-(4-Bromo-phenyl)-piperidine hydrochloride 3-(4-bromophenyl)piperidine;hydrochloride MFCD11223604 Piperidine, 3-(4-broMophenyl)-, hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.23
TPSA
12.03

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

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

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