1-[(3,4-difluorophenyl)methyl]piperidin-3-ol

C12H15F2NO — CID 3439867

IUPAC1-[(3,4-difluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyFQQLIVFCYSBCBI-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol

1-[(3,4-difluorophenyl)methyl]piperidin-3-ol (PubChem CID 3439867) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]piperidin-3-ol
PubChem CID3439867
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H15F2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyFQQLIVFCYSBCBI-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol (CID 3439867) is 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol?
The InChIKey is FQQLIVFCYSBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol?
1-[(3,4-difluorophenyl)methyl]piperidin-3-ol has a molecular weight of 227.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 3439867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).