1-[(4-chlorophenyl)methyl]piperidin-3-ol

C12H16ClNO — CID 24904912

IUPAC1-[(4-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7-9H2
InChIKeyYUZVJHZMUZSPSQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]piperidin-3-ol

1-[(4-chlorophenyl)methyl]piperidin-3-ol (PubChem CID 24904912) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]piperidin-3-ol
PubChem CID24904912
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[(4-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7-9H2
InChIKeyYUZVJHZMUZSPSQ-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4-chlorophenyl)methyl]piperidin-3-ol (CID 24904912) is 1-[(4-chlorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]piperidin-3-ol?
The InChIKey is YUZVJHZMUZSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7-9H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]piperidin-3-ol?
1-[(4-chlorophenyl)methyl]piperidin-3-ol has a molecular weight of 225.72 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 24904912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).