(3S)-5,5-difluoro-3-methylpiperidin-3-ol

C6H11F2NO — CID 178173097

IUPAC(3S)-5,5-difluoro-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CNCC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-5(10)2-6(7,8)4-9-3-5/h9-10H,2-4H2,1H3/t5-/m0/s1
InChIKeyUXIXYRZRHKLKQC-YFKPBYRVSA-N
MW151.16 g/mol
LogP0.37
Rot. Bonds

About (3S)-5,5-difluoro-3-methylpiperidin-3-ol

(3S)-5,5-difluoro-3-methylpiperidin-3-ol (PubChem CID 178173097) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3S)-5,5-difluoro-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-5,5-difluoro-3-methylpiperidin-3-ol
PubChem CID178173097
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3S)-5,5-difluoro-3-methylpiperidin-3-ol
SMILESC[C@@]1(O)CNCC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-5(10)2-6(7,8)4-9-3-5/h9-10H,2-4H2,1H3/t5-/m0/s1
InChIKeyUXIXYRZRHKLKQC-YFKPBYRVSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-(piperidin-4-yl)propan-2-ol
CID 50987534
3-Methylpiperidin-3-ol
CID 22496626
3-Ethylpiperidin-3-ol
CID 45791114
3-(Trifluoromethyl)piperidin-3-ol hydrochloride
CID 121514187
3-(Difluoromethyl)piperidin-3-ol hydrochloride
CID 121553002
3-(Trifluoromethyl)piperidin-3-ol
CID 50990623
(2R)-1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
CID 52421250
(2S)-1,1,1-trifluoro-2-(4-piperidyl)propan-2-ol
CID 52421252
3-Methoxy-3-(trifluoromethyl)piperidine
CID 54595515
3-(Difluoromethyl)piperidin-3-ol
CID 71756930
3-(Difluoromethyl)-1-methylpiperidin-3-ol
CID 81713059
1-Ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5-difluoro-3-methylpiperidin-3-ol?
The IUPAC name of (3S)-5,5-difluoro-3-methylpiperidin-3-ol (CID 178173097) is (3S)-5,5-difluoro-3-methylpiperidin-3-ol.
What is the SMILES notation for (3S)-5,5-difluoro-3-methylpiperidin-3-ol?
The canonical SMILES for (3S)-5,5-difluoro-3-methylpiperidin-3-ol is C[C@@]1(O)CNCC(F)(F)C1.
What is the InChIKey of (3S)-5,5-difluoro-3-methylpiperidin-3-ol?
The InChIKey is UXIXYRZRHKLKQC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-5(10)2-6(7,8)4-9-3-5/h9-10H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-5,5-difluoro-3-methylpiperidin-3-ol?
(3S)-5,5-difluoro-3-methylpiperidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5-difluoro-3-methylpiperidin-3-ol is sourced from PubChem (CID 178173097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).