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

C12H16ClNO — CID 2838460

IUPAC1-[(3-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(15)9-14/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyNNSOPFLTNRUGBS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.30
Rot. Bonds2

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

1-[(3-chlorophenyl)methyl]piperidin-3-ol (PubChem CID 2838460) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]piperidin-3-ol
PubChem CID2838460
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[(3-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(15)9-14/h1,3-4,7,12,15H,2,5-6,8-9H2
InChIKeyNNSOPFLTNRUGBS-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-[(3-chlorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-chlorophenyl)methyl]piperidin-3-ol (CID 2838460) is 1-[(3-chlorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]piperidin-3-ol?
The InChIKey is NNSOPFLTNRUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(15)9-14/h1,3-4,7,12,15H,2,5-6,8-9H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]piperidin-3-ol?
1-[(3-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-[(3-chlorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 2838460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).