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

C12H15ClFNO — CID 62786575

IUPAC4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2c(F)cccc2Cl)CCNCC1
InChIInChI=1S/C12H15ClFNO/c13-10-2-1-3-11(14)9(10)8-12(16)4-6-15-7-5-12/h1-3,15-16H,4-8H2
InChIKeyFDOOLLPSZDOYES-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.14
Rot. Bonds2

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

4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol (PubChem CID 62786575) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
PubChem CID62786575
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2c(F)cccc2Cl)CCNCC1
InChIInChI=1S/C12H15ClFNO/c13-10-2-1-3-11(14)9(10)8-12(16)4-6-15-7-5-12/h1-3,15-16H,4-8H2
InChIKeyFDOOLLPSZDOYES-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
4-[(2,3-difluorophenyl)methyl]azepan-4-ol
CID 103982867
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol (CID 62786575) is 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol is OC1(Cc2c(F)cccc2Cl)CCNCC1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
The InChIKey is FDOOLLPSZDOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-2-1-3-11(14)9(10)8-12(16)4-6-15-7-5-12/h1-3,15-16H,4-8H2.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol?
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol has a molecular weight of 243.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 62786575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).