1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol

C12H15ClFNO — CID 5333504

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFNO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3,9,16H,4-8H2
InChIKeyMAJJGJJKEJIXNF-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.44
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol (PubChem CID 5333504) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
PubChem CID5333504
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H15ClFNO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3,9,16H,4-8H2
InChIKeyMAJJGJJKEJIXNF-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol (CID 5333504) is 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol is OC1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The InChIKey is MAJJGJJKEJIXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-2-1-3-12(14)10(11)8-15-6-4-9(16)5-7-15/h1-3,9,16H,4-8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol has a molecular weight of 243.71 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 5333504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).