4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile

C16H18F2N2 — CID 155351165

IUPAC4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile
SMILESC=C(C)c1cc(F)cc(F)c1CC1(C#N)CCNCC1
InChIInChI=1S/C16H18F2N2/c1-11(2)13-7-12(17)8-15(18)14(13)9-16(10-19)3-5-20-6-4-16/h7-8,20H,1,3-6,9H2,2H3
InChIKeyPPKFBMOLMRCOEW-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.43
Rot. Bonds3

About 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile

4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile (PubChem CID 155351165) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile
PubChem CID155351165
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile
SMILESC=C(C)c1cc(F)cc(F)c1CC1(C#N)CCNCC1
InChIInChI=1S/C16H18F2N2/c1-11(2)13-7-12(17)8-15(18)14(13)9-16(10-19)3-5-20-6-4-16/h7-8,20H,1,3-6,9H2,2H3
InChIKeyPPKFBMOLMRCOEW-UHFFFAOYSA-N
XLogP3.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile (CID 155351165) is 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile is C=C(C)c1cc(F)cc(F)c1CC1(C#N)CCNCC1.
What is the InChIKey of 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile?
The InChIKey is PPKFBMOLMRCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11(2)13-7-12(17)8-15(18)14(13)9-16(10-19)3-5-20-6-4-16/h7-8,20H,1,3-6,9H2,2H3.
What are the key properties of 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile?
4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile has a molecular weight of 276.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluoro-6-prop-1-en-2-ylphenyl)methyl]piperidine-4-carbonitrile is sourced from PubChem (CID 155351165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).