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

C14H19F2NO — CID 114235639

IUPAC4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-13(2)9-17-6-5-14(13,18)8-10-3-4-11(15)12(16)7-10/h3-4,7,17-18H,5-6,8-9H2,1-2H3
InChIKeyIDBHVMRAELSBMP-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.26
Rot. Bonds2

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

4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol (PubChem CID 114235639) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol
PubChem CID114235639
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-13(2)9-17-6-5-14(13,18)8-10-3-4-11(15)12(16)7-10/h3-4,7,17-18H,5-6,8-9H2,1-2H3
InChIKeyIDBHVMRAELSBMP-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol (CID 114235639) is 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol is CC1(C)CNCCC1(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is IDBHVMRAELSBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(2)9-17-6-5-14(13,18)8-10-3-4-11(15)12(16)7-10/h3-4,7,17-18H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol?
4-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 255.31 g/mol, XLogP of 2.26, 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]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 114235639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).