3,3-difluoro-4-piperidin-3-ylbutan-2-ol

C9H17F2NO — CID 105446942

IUPAC3,3-difluoro-4-piperidin-3-ylbutan-2-ol
SMILESCC(O)C(F)(F)CC1CCCNC1
InChIInChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-2-4-12-6-8/h7-8,12-13H,2-6H2,1H3
InChIKeyMVNUTXVYSKHCBD-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds3

About 3,3-difluoro-4-piperidin-3-ylbutan-2-ol

3,3-difluoro-4-piperidin-3-ylbutan-2-ol (PubChem CID 105446942) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-4-piperidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4-piperidin-3-ylbutan-2-ol
PubChem CID105446942
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-4-piperidin-3-ylbutan-2-ol
SMILESCC(O)C(F)(F)CC1CCCNC1
InChIInChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-2-4-12-6-8/h7-8,12-13H,2-6H2,1H3
InChIKeyMVNUTXVYSKHCBD-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)piperidine
CID 21041533
1,1,1-trifluoro-3-piperidin-3-ylpropan-2-ol
CID 84733447
2-fluoro-N,2-dimethyl-3-piperidin-3-ylpropan-1-amine
CID 105443321
3-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790999
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
CID 105499355
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
2,2-dimethyl-3-piperidin-3-ylpropanamide
CID 119057117
3-(3-methylbutyl)piperidine
CID 53409753
1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
piperidin-3-ylmethanol
CID 161361606

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-piperidin-3-ylbutan-2-ol?
The IUPAC name of 3,3-difluoro-4-piperidin-3-ylbutan-2-ol (CID 105446942) is 3,3-difluoro-4-piperidin-3-ylbutan-2-ol.
What is the SMILES notation for 3,3-difluoro-4-piperidin-3-ylbutan-2-ol?
The canonical SMILES for 3,3-difluoro-4-piperidin-3-ylbutan-2-ol is CC(O)C(F)(F)CC1CCCNC1.
What is the InChIKey of 3,3-difluoro-4-piperidin-3-ylbutan-2-ol?
The InChIKey is MVNUTXVYSKHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-2-4-12-6-8/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-4-piperidin-3-ylbutan-2-ol?
3,3-difluoro-4-piperidin-3-ylbutan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-piperidin-3-ylbutan-2-ol is sourced from PubChem (CID 105446942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).