1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

C11H18F3NO — CID 22970028

IUPAC1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-2-3-4-9-5-7-15(8-6-9)10(16)11(12,13)14/h9H,2-8H2,1H3
InChIKeyDNZFQWJHRJZRKT-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone

1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 22970028) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID22970028
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
SMILESCCCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-2-3-4-9-5-7-15(8-6-9)10(16)11(12,13)14/h9H,2-8H2,1H3
InChIKeyDNZFQWJHRJZRKT-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 201026
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CID 3040955
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
Pentafluoropropanamide, N,N-bis(2-ethylhexyl)-
CID 533202
Propylhexedrine N-TFA
CID 91752759
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone (CID 22970028) is 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is CCCCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is DNZFQWJHRJZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-3-4-9-5-7-15(8-6-9)10(16)11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone?
1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 237.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylpiperidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 22970028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).