1-butyl-5-(difluoromethyl)piperidin-3-ol

C10H19F2NO — CID 126716145

IUPAC1-butyl-5-(difluoromethyl)piperidin-3-ol
SMILESCCCCN1CC(O)CC(C(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-2-3-4-13-6-8(10(11)12)5-9(14)7-13/h8-10,14H,2-7H2,1H3
InChIKeyOMQJOLPQDXDWIY-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds4

About 1-butyl-5-(difluoromethyl)piperidin-3-ol

1-butyl-5-(difluoromethyl)piperidin-3-ol (PubChem CID 126716145) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-butyl-5-(difluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-butyl-5-(difluoromethyl)piperidin-3-ol
PubChem CID126716145
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-butyl-5-(difluoromethyl)piperidin-3-ol
SMILESCCCCN1CC(O)CC(C(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-2-3-4-13-6-8(10(11)12)5-9(14)7-13/h8-10,14H,2-7H2,1H3
InChIKeyOMQJOLPQDXDWIY-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 3416712
1-Butyl-5-methyl-piperidine-3,4-diol
CID 44368231
1,2,2,5-Tetramethylpiperidin-3-ol
CID 4265959
N-t-butyl-5-methyl-3-piperidol
CID 3557594
5-Methyl-1-(1-methylethyl)-3-piperidinol
CID 3874539
3-Methyl-1-piperidin-1-ylbutan-2-ol
CID 13159231
(2S)-1,1,1-trifluoro-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 1482207
2-(3-{[Methyl(3,3,3-trifluoropropyl)amino]methyl}piperidin-1-YL)ethanol
CID 56709394
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
1-[1-(2-Hydroxyethyl)piperidin-4-yl]propan-1-ol
CID 11970511
(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-ol
CID 58177274

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(difluoromethyl)piperidin-3-ol?
The IUPAC name of 1-butyl-5-(difluoromethyl)piperidin-3-ol (CID 126716145) is 1-butyl-5-(difluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-butyl-5-(difluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-butyl-5-(difluoromethyl)piperidin-3-ol is CCCCN1CC(O)CC(C(F)F)C1.
What is the InChIKey of 1-butyl-5-(difluoromethyl)piperidin-3-ol?
The InChIKey is OMQJOLPQDXDWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-3-4-13-6-8(10(11)12)5-9(14)7-13/h8-10,14H,2-7H2,1H3.
What are the key properties of 1-butyl-5-(difluoromethyl)piperidin-3-ol?
1-butyl-5-(difluoromethyl)piperidin-3-ol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(difluoromethyl)piperidin-3-ol is sourced from PubChem (CID 126716145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).