3-[(4-chlorophenyl)methyl]piperidine

C12H16ClN — CID 3746536

IUPAC3-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2
InChIKeyVEVHEHZAQHSNBX-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.88
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]piperidine

3-[(4-chlorophenyl)methyl]piperidine (PubChem CID 3746536) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]piperidine
PubChem CID3746536
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-[(4-chlorophenyl)methyl]piperidine
SMILESClc1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2
InChIKeyVEVHEHZAQHSNBX-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of 3-[(4-chlorophenyl)methyl]piperidine (CID 3746536) is 3-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]piperidine is Clc1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is VEVHEHZAQHSNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]piperidine?
3-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 209.72 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 3746536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).