1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol

C14H24F3NO2 — CID 164604670

IUPAC1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol
SMILESCCCC(=O)N1CCCCC1.OCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17NO.C5H7F3O/c1-2-6-9(11)10-7-4-3-5-8-10;6-5(7,8)4(3-9)1-2-4/h2-8H2,1H3;9H,1-3H2
InChIKeyNGHIZZAZTPZISS-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.12
Rot. Bonds3

About 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol

1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 164604670) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol
PubChem CID164604670
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol
SMILESCCCC(=O)N1CCCCC1.OCC1(C(F)(F)F)CC1
InChIInChI=1S/C9H17NO.C5H7F3O/c1-2-6-9(11)10-7-4-3-5-8-10;6-5(7,8)4(3-9)1-2-4/h2-8H2,1H3;9H,1-3H2
InChIKeyNGHIZZAZTPZISS-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Hydroxymethyl)-3,3-dimethyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 58171959
1-[4-Methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 67401859
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
Cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 67404025
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170
4,4,4-Trifluoro-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 149718879
1-(Methoxymethyl)-1-(trifluoromethyl)cyclopropane;1-piperidin-1-ylbutan-1-one
CID 164604055
1-(4,4-Difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
[1-(Hydroxymethyl)cyclopropyl]-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 170423722
(4-hydroxypiperidin-1-yl)-[(1S,2S)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
CID 172557659
(4-hydroxypiperidin-1-yl)-[(1R,2R)-1-methyl-2-(trifluoromethyl)cyclopropyl]methanone
CID 172557679
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588202

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol (CID 164604670) is 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol is CCCC(=O)N1CCCCC1.OCC1(C(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is NGHIZZAZTPZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C5H7F3O/c1-2-6-9(11)10-7-4-3-5-8-10;6-5(7,8)4(3-9)1-2-4/h2-8H2,1H3;9H,1-3H2.
What are the key properties of 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol?
1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 295.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylbutan-1-one;[1-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 164604670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).