1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol

C8H15F2NO — CID 115874131

IUPAC1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-8(12)3-2-4-11(6-8)5-7(9)10/h7,12H,2-6H2,1H3
InChIKeyMJRRPLVYOCWQMK-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol

1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol (PubChem CID 115874131) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
PubChem CID115874131
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-8(12)3-2-4-11(6-8)5-7(9)10/h7,12H,2-6H2,1H3
InChIKeyMJRRPLVYOCWQMK-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
CID 131140409
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol
CID 115873551
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
CID 116790405
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol (CID 115874131) is 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol is CC1(O)CCCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol?
The InChIKey is MJRRPLVYOCWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(12)3-2-4-11(6-8)5-7(9)10/h7,12H,2-6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol?
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115874131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).