4-[(3,4-difluorophenyl)methyl]piperidin-4-ol

C12H15F2NO — CID 59003395

IUPAC4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)8-12(16)3-5-15-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyFPSJJEXZJYXRCL-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.62
Rot. Bonds2

About 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol

4-[(3,4-difluorophenyl)methyl]piperidin-4-ol (PubChem CID 59003395) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
PubChem CID59003395
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)8-12(16)3-5-15-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyFPSJJEXZJYXRCL-UHFFFAOYSA-N
XLogP1.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 22628376
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
CID 82935489
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-[[3-(dimethylamino)-4-fluorophenyl]methyl]cyclopropan-1-ol
CID 117117535
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
CID 129319882
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol (CID 59003395) is 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol is OC1(Cc2ccc(F)c(F)c2)CCNCC1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol?
The InChIKey is FPSJJEXZJYXRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-1-9(7-11(10)14)8-12(16)3-5-15-6-4-12/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol?
4-[(3,4-difluorophenyl)methyl]piperidin-4-ol has a molecular weight of 227.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 59003395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).