3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride

C17H19Cl2N — CID 18001182

IUPAC3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCC1c1ccccc1
InChIInChI=1S/C17H18ClN.ClH/c18-17-9-5-4-8-15(17)16-12-19-11-10-14(16)13-6-2-1-3-7-13;/h1-9,14,16,19H,10-12H2;1H
InChIKeyGITFHAZVNSAGFQ-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.62
Rot. Bonds2

About 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride

3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride (PubChem CID 18001182) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride
PubChem CID18001182
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCC1c1ccccc1
InChIInChI=1S/C17H18ClN.ClH/c18-17-9-5-4-8-15(17)16-12-19-11-10-14(16)13-6-2-1-3-7-13;/h1-9,14,16,19H,10-12H2;1H
InChIKeyGITFHAZVNSAGFQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride (CID 18001182) is 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride is Cl.Clc1ccccc1C1CNCCC1c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride?
The InChIKey is GITFHAZVNSAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN.ClH/c18-17-9-5-4-8-15(17)16-12-19-11-10-14(16)13-6-2-1-3-7-13;/h1-9,14,16,19H,10-12H2;1H.
What are the key properties of 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride?
3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 18001182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).