[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate

C19H20ClNO2 — CID 18919796

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate
SMILESO=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)14-21-12-10-18(11-13-21)23-19(22)16-4-2-1-3-5-16/h1-9,18H,10-14H2
InChIKeyMWXOVKRWIZNPHL-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.16
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate

[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate (PubChem CID 18919796) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate
PubChem CID18919796
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate
SMILESO=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)14-21-12-10-18(11-13-21)23-19(22)16-4-2-1-3-5-16/h1-9,18H,10-14H2
InChIKeyMWXOVKRWIZNPHL-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate 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 [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate (CID 18919796) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate is O=C(OC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate?
The InChIKey is MWXOVKRWIZNPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-17-8-6-15(7-9-17)14-21-12-10-18(11-13-21)23-19(22)16-4-2-1-3-5-16/h1-9,18H,10-14H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate has a molecular weight of 329.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl] benzoate is sourced from PubChem (CID 18919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).