(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol

C6H11F2NO — CID 167458357

IUPAC(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol
SMILESC[C@H]1CNC[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO/c1-4-2-9-3-5(10)6(4,7)8/h4-5,9-10H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyKCRGAVLQQBARKO-CRCLSJGQSA-N
MW151.16 g/mol
LogP0.22
Rot. Bonds

About (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol

(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol (PubChem CID 167458357) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol
PubChem CID167458357
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol
SMILESC[C@H]1CNC[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO/c1-4-2-9-3-5(10)6(4,7)8/h4-5,9-10H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyKCRGAVLQQBARKO-CRCLSJGQSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-5-Methyl-piperidine-3,4-diol
CID 44319486
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
CID 51049977
5-Methylpiperidine-3,4-diol
CID 10011928
4-Methylpiperidin-3-ol hydrochloride
CID 21955242
rac-(3R,5R)-5-methylpiperidin-3-ol
CID 55286498
2,2,2-Trifluoro-1-(piperidin-4-yl)ethan-1-ol hydrochloride
CID 66728457
4,4-Difluoropiperidin-3-ol hydrochloride
CID 66858505
rac-(3R,5S)-5-methylpiperidin-3-ol hydrochloride
CID 68442333
5-Methylpiperidin-3-ol hydrochloride
CID 68442336
5,5-Difluoropiperidin-3-ol hydrochloride
CID 75525718
3-(Trifluoromethyl)piperidin-3-ol hydrochloride
CID 121514187
3-(Difluoromethyl)piperidin-3-ol hydrochloride
CID 121553002

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol?
The IUPAC name of (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol (CID 167458357) is (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol.
What is the SMILES notation for (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol?
The canonical SMILES for (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol is C[C@H]1CNC[C@@H](O)C1(F)F.
What is the InChIKey of (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol?
The InChIKey is KCRGAVLQQBARKO-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-4-2-9-3-5(10)6(4,7)8/h4-5,9-10H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol?
(3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-4,4-difluoro-5-methylpiperidin-3-ol is sourced from PubChem (CID 167458357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).