2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol

C15H21F2NO — CID 167458365

IUPAC2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
SMILESC[C@H]1CN(Cc2ccccc2)C[C@@H](CCO)C1(F)F
InChIInChI=1S/C15H21F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,12,14,19H,7-11H2,1H3/t12-,14+/m0/s1
InChIKeyISRDXIRZFWCMIW-GXTWGEPZSA-N
MW269.33 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol

2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol (PubChem CID 167458365) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
PubChem CID167458365
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
SMILESC[C@H]1CN(Cc2ccccc2)C[C@@H](CCO)C1(F)F
InChIInChI=1S/C15H21F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,12,14,19H,7-11H2,1H3/t12-,14+/m0/s1
InChIKeyISRDXIRZFWCMIW-GXTWGEPZSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde
CID 171525912
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
CID 72524846
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
[(3R,4R)-1-benzyl-4-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124678781
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol (CID 167458365) is 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol is C[C@H]1CN(Cc2ccccc2)C[C@@H](CCO)C1(F)F.
What is the InChIKey of 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol?
The InChIKey is ISRDXIRZFWCMIW-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,12,14,19H,7-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol?
2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol has a molecular weight of 269.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol is sourced from PubChem (CID 167458365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).