1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile

C10H15F3N2 — CID 115513923

IUPAC1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)4-2-6-15-5-1-3-9(7-14)8-15/h9H,1-6,8H2
InChIKeyUNMUDVNMVWPPRP-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile

1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile (PubChem CID 115513923) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
PubChem CID115513923
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)4-2-6-15-5-1-3-9(7-14)8-15/h9H,1-6,8H2
InChIKeyUNMUDVNMVWPPRP-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluorobutyl)piperidine-3-carbonitrile
CID 84670667
1-(4-methylpentyl)piperidine-3-carbonitrile
CID 83156656
1-(4,4,4-trifluorobutyl)pyrrolidine-2-carbonitrile
CID 115513921
3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518477
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
CID 159332377
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142
1-(6,6,6-trifluorohexyl)piperidine
CID 71259183

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile (CID 115513923) is 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile is N#CC1CCCN(CCCC(F)(F)F)C1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile?
The InChIKey is UNMUDVNMVWPPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)4-2-6-15-5-1-3-9(7-14)8-15/h9H,1-6,8H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile?
1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile is sourced from PubChem (CID 115513923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).