CAS RN: 1185308-38-6
3-(4-AMino-piperidin-1-yl)-1-phenylpropan-1-one hydrochloride, 98+% C14H21ClN2O, MW: 268.79
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185308-38-6
- Purity/Analytical Methods: >99.0%
1185308-38-6 / 3-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
3-(4-Amino-piperidin-1-yl)-1-phenyl-propan-1-one hydrochloride | 3-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride | DTXSID20671372
Basic Information
CAS
1185308-38-6
Multi CAS
No
Molecular Formula
C14H21ClN2O
Molecular Weight
268.780000
Exact Mass
268.134241
SMILES
C1CN(CCC1N)CCC(=O)C2=CC=CC=C2.Cl
InChI
InChI=1S/C14H20N2O.ClH/c15-13-6-9-16(10-7-13)11-8-14(17)12-4-2-1-3-5-12;/h1-5,13H,6-11,15H2;1H
InChIKey
DXSYRXWFFHVGHP-UHFFFAOYSA-N
Synonyms
3-(4-Amino-piperidin-1-yl)-1-phenyl-propan-1-one hydrochloride
3-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
DTXSID20671372
SBB075708
AKOS015941476
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.29
TPSA
46.33
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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