1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol

C13H17F2NO — CID 114502450

IUPAC1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cccc(F)c2F)CCC1O
InChIInChI=1S/C13H17F2NO/c1-9-7-16(6-5-12(9)17)8-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3
InChIKeyLDGWPZYYYSRZTN-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol

1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114502450) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID114502450
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cccc(F)c2F)CCC1O
InChIInChI=1S/C13H17F2NO/c1-9-7-16(6-5-12(9)17)8-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3
InChIKeyLDGWPZYYYSRZTN-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681427
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119924222
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
CID 24904595
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol (CID 114502450) is 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2cccc(F)c2F)CCC1O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is LDGWPZYYYSRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9-7-16(6-5-12(9)17)8-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol?
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).