CAS RN: 1185317-59-2
1-Phenyl-3-(piperidin-3-ylaMino)-propan-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.20250817 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185317-59-2
- Purity/Analytical Methods: >99.0%
1185317-59-2 / 1-phenyl-3-(piperidin-3-ylamino)propan-1-one;hydrochloride
1-Phenyl-3-(piperidin-3-ylamino)-propan-1-one hydrochloride | 1-Phenyl-3-(piperidin-3-ylamino)propan-1-one hydrochloride | 1-phenyl-3-(piperidin-3-ylamino)propan-1-one;hydrochloride
Basic Information
CAS
1185317-59-2
Multi CAS
No
Molecular Formula
C14H21ClN2O
Molecular Weight
268.780000
Exact Mass
268.134241
SMILES
C1CC(CNC1)NCCC(=O)C2=CC=CC=C2.Cl
InChI
InChI=1S/C14H20N2O.ClH/c17-14(12-5-2-1-3-6-12)8-10-16-13-7-4-9-15-11-13;/h1-3,5-6,13,15-16H,4,7-11H2;1H
InChIKey
PXXZPFQRJIEYQJ-UHFFFAOYSA-N
Synonyms
1-Phenyl-3-(piperidin-3-ylamino)-propan-1-one hydrochloride
1-Phenyl-3-(piperidin-3-ylamino)propan-1-one hydrochloride
1-phenyl-3-(piperidin-3-ylamino)propan-1-one;hydrochloride
DTXSID90671344
SBB074685
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.53
TPSA
41.13
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.92
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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