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

C12H16ClNO — CID 62787599

IUPAC4-[(3-chlorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)9-12(15)4-6-14-7-5-12/h1-3,8,14-15H,4-7,9H2
InChIKeyPKPWMGLMTRZDRJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.00
Rot. Bonds2

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

4-[(3-chlorophenyl)methyl]piperidin-4-ol (PubChem CID 62787599) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]piperidin-4-ol
PubChem CID62787599
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-[(3-chlorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)9-12(15)4-6-14-7-5-12/h1-3,8,14-15H,4-7,9H2
InChIKeyPKPWMGLMTRZDRJ-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3-chlorophenyl)methyl]piperidin-4-ol (CID 62787599) is 4-[(3-chlorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]piperidin-4-ol is OC1(Cc2cccc(Cl)c2)CCNCC1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]piperidin-4-ol?
The InChIKey is PKPWMGLMTRZDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)9-12(15)4-6-14-7-5-12/h1-3,8,14-15H,4-7,9H2.
What are the key properties of 4-[(3-chlorophenyl)methyl]piperidin-4-ol?
4-[(3-chlorophenyl)methyl]piperidin-4-ol has a molecular weight of 225.72 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 62787599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).