1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol

C13H17F2NO — CID 115883312

IUPAC1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO/c1-13(17)6-3-7-16(9-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3
InChIKeySBHNREVCNUMMKB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol

1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol (PubChem CID 115883312) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
PubChem CID115883312
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO/c1-13(17)6-3-7-16(9-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3
InChIKeySBHNREVCNUMMKB-UHFFFAOYSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874648
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
(4S)-1-[(2,6-difluorophenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95724527
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 56866509
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 107348421
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol (CID 115883312) is 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is SBHNREVCNUMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(17)6-3-7-16(9-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115883312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).