1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol

C12H15ClFNO — CID 24905047

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8H2
InChIKeyBCRJNVAVUJIGET-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.44
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol

1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 24905047) 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-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
PubChem CID24905047
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8H2
InChIKeyBCRJNVAVUJIGET-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

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Related Compounds

1-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-3-ol
CID 115879745
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918468
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64871121
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 43921338

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol (CID 24905047) is 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is BCRJNVAVUJIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-6-2-3-9(16)7-15/h1,4-5,9,16H,2-3,6-8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol?
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-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-3-ol is sourced from PubChem (CID 24905047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).