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

C13H17F2NO — CID 115873594

IUPAC1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyNHCILOQQHYXBAC-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds2

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

1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol (PubChem CID 115873594) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
PubChem CID115873594
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyNHCILOQQHYXBAC-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-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
2-fluoro-5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 103758584
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
3-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 113343968
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-3-methylpiperidin-3-ol
CID 106785727

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol (CID 115873594) is 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is NHCILOQQHYXBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol?
1-[(3,4-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-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).