2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile

C15H18F2N2 — CID 84756687

IUPAC2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
SMILESCC1CC(C)CN(C(C#N)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N2/c1-10-5-11(2)9-19(8-10)15(7-18)13-4-3-12(16)6-14(13)17/h3-4,6,10-11,15H,5,8-9H2,1-2H3
InChIKeyZDCZUKXDVGSYQS-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.51
Rot. Bonds2

About 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile

2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile (PubChem CID 84756687) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
PubChem CID84756687
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
SMILESCC1CC(C)CN(C(C#N)c2ccc(F)cc2F)C1
InChIInChI=1S/C15H18F2N2/c1-10-5-11(2)9-19(8-10)15(7-18)13-4-3-12(16)6-14(13)17/h3-4,6,10-11,15H,5,8-9H2,1-2H3
InChIKeyZDCZUKXDVGSYQS-UHFFFAOYSA-N
XLogP3.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756935
2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile
CID 84756676
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetic acid
CID 84747087
2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
CID 84756695
2-(3,4-dimethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756670
2-(2,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420307
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
N-[cyano-(2,4-difluorophenyl)methyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 56584610
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile (CID 84756687) is 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile is CC1CC(C)CN(C(C#N)c2ccc(F)cc2F)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile?
The InChIKey is ZDCZUKXDVGSYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-10-5-11(2)9-19(8-10)15(7-18)13-4-3-12(16)6-14(13)17/h3-4,6,10-11,15H,5,8-9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile?
2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile has a molecular weight of 264.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 84756687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).