4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol

C13H17F2NO — CID 105402809

IUPAC4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c1-9-8-16-3-2-13(9,17)7-10-4-11(14)6-12(15)5-10/h4-6,9,16-17H,2-3,7-8H2,1H3
InChIKeyCVNSCRDTIOTXQR-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.87
Rot. Bonds2

About 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol

4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 105402809) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID105402809
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c1-9-8-16-3-2-13(9,17)7-10-4-11(14)6-12(15)5-10/h4-6,9,16-17H,2-3,7-8H2,1H3
InChIKeyCVNSCRDTIOTXQR-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol (CID 105402809) is 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol is CC1CNCCC1(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is CVNSCRDTIOTXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9-8-16-3-2-13(9,17)7-10-4-11(14)6-12(15)5-10/h4-6,9,16-17H,2-3,7-8H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 105402809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).