4-[(3-chlorophenyl)methyl]piperidine;hydrochloride

C12H17Cl2N — CID 71305947

IUPAC4-[(3-chlorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Clc1cccc(CC2CCNCC2)c1
InChIInChI=1S/C12H16ClN.ClH/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10;/h1-3,9-10,14H,4-8H2;1H
InChIKeyKWLLXYLZQJJISJ-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.30
Rot. Bonds2

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

4-[(3-chlorophenyl)methyl]piperidine;hydrochloride (PubChem CID 71305947) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]piperidine;hydrochloride
PubChem CID71305947
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name4-[(3-chlorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Clc1cccc(CC2CCNCC2)c1
InChIInChI=1S/C12H16ClN.ClH/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10;/h1-3,9-10,14H,4-8H2;1H
InChIKeyKWLLXYLZQJJISJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride (CID 71305947) is 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride is Cl.Clc1cccc(CC2CCNCC2)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride?
The InChIKey is KWLLXYLZQJJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.ClH/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10;/h1-3,9-10,14H,4-8H2;1H.
What are the key properties of 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride?
4-[(3-chlorophenyl)methyl]piperidine;hydrochloride has a molecular weight of 246.18 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 71305947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).