5-(2,2-difluoroethyl)piperidin-3-ol

C7H13F2NO — CID 77471879

IUPAC5-(2,2-difluoroethyl)piperidin-3-ol
SMILESOC1CNCC(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h5-7,10-11H,1-4H2
InChIKeyBSIWGEMPPZYQCD-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.61
Rot. Bonds2

About 5-(2,2-difluoroethyl)piperidin-3-ol

5-(2,2-difluoroethyl)piperidin-3-ol (PubChem CID 77471879) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)piperidin-3-ol.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)piperidin-3-ol
PubChem CID77471879
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name5-(2,2-difluoroethyl)piperidin-3-ol
SMILESOC1CNCC(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h5-7,10-11H,1-4H2
InChIKeyBSIWGEMPPZYQCD-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,5S)-5-(1-fluoroethyl)piperidine-3,4-diol
CID 51050004
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
CID 51049977
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
5,5-Difluoropiperidin-3-ol hydrochloride
CID 75525718
5-Methylpiperidin-3-ol
CID 21278329
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol
CID 50990579
2,2,2-Trifluoro-1-(piperidin-3-yl)ethan-1-ol hydrochloride
CID 86767693
(3,3-Difluoropiperidin-4-yl)methanol hydrochloride
CID 105442904
(3R)-5,5-Difluoro-piperidin-3-ol hydrochloride
CID 155921101
rac-[(2R,4S)-2-(trifluoromethyl)piperidin-4-yl]methanol
CID 165944554

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)piperidin-3-ol?
The IUPAC name of 5-(2,2-difluoroethyl)piperidin-3-ol (CID 77471879) is 5-(2,2-difluoroethyl)piperidin-3-ol.
What is the SMILES notation for 5-(2,2-difluoroethyl)piperidin-3-ol?
The canonical SMILES for 5-(2,2-difluoroethyl)piperidin-3-ol is OC1CNCC(CC(F)F)C1.
What is the InChIKey of 5-(2,2-difluoroethyl)piperidin-3-ol?
The InChIKey is BSIWGEMPPZYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h5-7,10-11H,1-4H2.
What are the key properties of 5-(2,2-difluoroethyl)piperidin-3-ol?
5-(2,2-difluoroethyl)piperidin-3-ol has a molecular weight of 165.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)piperidin-3-ol is sourced from PubChem (CID 77471879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).