(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine

C15H20ClNO2 — CID 52864611

IUPAC(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine
SMILESClc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1
InChIInChI=1S/C15H20ClNO2/c16-14-5-3-12(4-6-14)10-17-7-1-2-13(11-17)15-18-8-9-19-15/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1
InChIKeyAUSHIWRROXAKFK-ZDUSSCGKSA-N
MW281.78 g/mol
LogP2.92
Rot. Bonds3

About (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine

(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine (PubChem CID 52864611) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine
PubChem CID52864611
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine
SMILESClc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1
InChIInChI=1S/C15H20ClNO2/c16-14-5-3-12(4-6-14)10-17-7-1-2-13(11-17)15-18-8-9-19-15/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1
InChIKeyAUSHIWRROXAKFK-ZDUSSCGKSA-N
XLogP2.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine (CID 52864611) is (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine is Clc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1.
What is the InChIKey of (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is AUSHIWRROXAKFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-5-3-12(4-6-14)10-17-7-1-2-13(11-17)15-18-8-9-19-15/h3-6,13,15H,1-2,7-11H2/t13-/m0/s1.
What are the key properties of (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine?
(3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 281.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-chlorophenyl)methyl]-3-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 52864611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).