1-(3,3-difluorobutyl)piperidine-3-carbonitrile

C10H16F2N2 — CID 84670667

IUPAC1-(3,3-difluorobutyl)piperidine-3-carbonitrile
SMILESCC(F)(F)CCN1CCCC(C#N)C1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)4-6-14-5-2-3-9(7-13)8-14/h9H,2-6,8H2,1H3
InChIKeyRFQSTZVQQFQSMQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.27
Rot. Bonds3

About 1-(3,3-difluorobutyl)piperidine-3-carbonitrile

1-(3,3-difluorobutyl)piperidine-3-carbonitrile (PubChem CID 84670667) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)piperidine-3-carbonitrile
PubChem CID84670667
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-(3,3-difluorobutyl)piperidine-3-carbonitrile
SMILESCC(F)(F)CCN1CCCC(C#N)C1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)4-6-14-5-2-3-9(7-13)8-14/h9H,2-6,8H2,1H3
InChIKeyRFQSTZVQQFQSMQ-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
CID 115513923
1-(4-methylpentyl)piperidine-3-carbonitrile
CID 83156656
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
1-(3,3-difluorobutyl)piperidine-3-carboxylic acid
CID 84686575
1-(3-methylbutyl)azepane-4-carbonitrile
CID 118000507
4-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylbutanenitrile
CID 107225980
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
CID 84681793
1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
CID 102977110
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(3,3-difluorobutyl)piperidine-3-carbonitrile (CID 84670667) is 1-(3,3-difluorobutyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(3,3-difluorobutyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(3,3-difluorobutyl)piperidine-3-carbonitrile is CC(F)(F)CCN1CCCC(C#N)C1.
What is the InChIKey of 1-(3,3-difluorobutyl)piperidine-3-carbonitrile?
The InChIKey is RFQSTZVQQFQSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-10(11,12)4-6-14-5-2-3-9(7-13)8-14/h9H,2-6,8H2,1H3.
What are the key properties of 1-(3,3-difluorobutyl)piperidine-3-carbonitrile?
1-(3,3-difluorobutyl)piperidine-3-carbonitrile has a molecular weight of 202.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)piperidine-3-carbonitrile is sourced from PubChem (CID 84670667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).