[email protected]
CAS 1135-33-7 Piperidine, 1-(2-phenylethyl)-, hydrochloride molecular structure lightbox
CAS RN: 1135-33-7

Piperidine, 1-(2-phenylethyl)-, hydrochloride

  • Product code: SSC-013610
GET A QUOTE
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: 0.1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1135-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry

1135-33-7 / 1-(2-phenylethyl)piperidine;hydrochloride

SCHEMBL27138909 | 1-Phenethylpiperidine Hydrochloride | SY498347

Standard CAS: 1135-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1135-33-7
Multi CAS
No
Molecular Formula
C13H20ClN
Molecular Weight
225.760000
Exact Mass
225.128427
SMILES
C1CCN(CC1)CCC2=CC=CC=C2.Cl
InChI
InChI=1S/C13H19N.ClH/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;/h1,3-4,7-8H,2,5-6,9-12H2;1H
InChIKey
PASCUQQNBVSWAN-UHFFFAOYSA-N
Synonyms
SCHEMBL27138909 1-Phenethylpiperidine Hydrochloride SY498347 Piperidine, 1-(2-phenylethyl)-, hydrochloride (1:1)

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.69
TPSA
3.24

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
3.14
Consensus LogP
3.01
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us