1-[(4-chlorophenyl)methyl]piperidine;hydrochloride

C12H17Cl2N — CID 23294340

IUPAC1-[(4-chlorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H16ClN.ClH/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H
InChIKeyNKWUCIIJPHEITA-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.75
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride

1-[(4-chlorophenyl)methyl]piperidine;hydrochloride (PubChem CID 23294340) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]piperidine;hydrochloride
PubChem CID23294340
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-[(4-chlorophenyl)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H16ClN.ClH/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H
InChIKeyNKWUCIIJPHEITA-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride (CID 23294340) is 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride is Cl.Clc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride?
The InChIKey is NKWUCIIJPHEITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.ClH/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride?
1-[(4-chlorophenyl)methyl]piperidine;hydrochloride has a molecular weight of 246.18 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 23294340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).