[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol

C9H17F2NO — CID 171478982

IUPAC[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol
SMILESCCN1CCC(F)(F)[C@](C)(CO)C1
InChIInChI=1S/C9H17F2NO/c1-3-12-5-4-9(10,11)8(2,6-12)7-13/h13H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCOMPJXKYPHMLAK-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds2

About [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol

[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol (PubChem CID 171478982) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol
PubChem CID171478982
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol
SMILESCCN1CCC(F)(F)[C@](C)(CO)C1
InChIInChI=1S/C9H17F2NO/c1-3-12-5-4-9(10,11)8(2,6-12)7-13/h13H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyCOMPJXKYPHMLAK-QMMMGPOBSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-Dimethylpiperidin-3-yl)methanol
CID 44827703
3-Hydroxymethyl-N,N-dimethylpiperidinium
CID 194499
[1-(But-3-yn-1-yl)-3-methylpiperidin-3-yl]methanol
CID 145912935
[1-(Butan-2-yl)-4,4-difluoropiperidin-3-yl]methanol
CID 126778899
[1-Pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 19014398
(1-(2,2-Difluoroethyl)piperidin-3-yl)methanol
CID 62020438
(1-(2,2,2-Trifluoroethyl)piperidin-3-yl)methanol
CID 62022536
2-[1-(2,2,2-Trifluoro-ethyl)-piperidin-4-yl]-ethanol
CID 71501361
[1-(2-Fluoroethyl)piperidin-3-yl]methanol
CID 78067827
(3-Fluoro-1-methylpiperidin-3-yl)methanol
CID 84020789
(4,4-Difluoro-1-methylpiperidin-3-yl)methanol
CID 84717016
2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 89524572

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol (CID 171478982) is [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol is CCN1CCC(F)(F)[C@](C)(CO)C1.
What is the InChIKey of [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol?
The InChIKey is COMPJXKYPHMLAK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-12-5-4-9(10,11)8(2,6-12)7-13/h13H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol?
[(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-ethyl-4,4-difluoro-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 171478982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).