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

C15H19FN2 — CID 84756676

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile
SMILESCC1CC(C)CN(C(C#N)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2/c1-11-7-12(2)10-18(9-11)15(8-17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7,9-10H2,1-2H3
InChIKeyKPMWAAITJOBEAL-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.37
Rot. Bonds2

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

2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile (PubChem CID 84756676) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile
PubChem CID84756676
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile
SMILESCC1CC(C)CN(C(C#N)c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2/c1-11-7-12(2)10-18(9-11)15(8-17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7,9-10H2,1-2H3
InChIKeyKPMWAAITJOBEAL-UHFFFAOYSA-N
XLogP3.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756687
2-(3,4-dimethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetonitrile
CID 84756670
2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
2-(3,5-dimethylpiperidin-1-yl)-2-naphthalen-1-ylacetonitrile
CID 84756695
1-[1-(4-fluorophenyl)ethyl]-5-methylpiperidin-3-amine
CID 79986421
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349596
2-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)acetonitrile
CID 84756934
2-(4-fluorophenyl)-2-(3-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)acetonitrile
CID 166308706
2-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349642
2-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
CID 84756597
(2S,4S)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-methylpyrrolidine-2-carbonitrile
CID 58385814
2-(4-fluorophenyl)-2-(3-oxopyrazolidin-1-yl)acetonitrile
CID 154715735

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile (CID 84756676) is 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile is CC1CC(C)CN(C(C#N)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile?
The InChIKey is KPMWAAITJOBEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-11-7-12(2)10-18(9-11)15(8-17)13-3-5-14(16)6-4-13/h3-6,11-12,15H,7,9-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile?
2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 84756676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).