1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile

C14H17FN2 — CID 117024552

IUPAC1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile
SMILESCC1(C)CN(c2cccc(F)c2)CCC1C#N
InChIInChI=1S/C14H17FN2/c1-14(2)10-17(7-6-11(14)9-16)13-5-3-4-12(15)8-13/h3-5,8,11H,6-7,10H2,1-2H3
InChIKeySJWHMWYKAWVTSH-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.20
Rot. Bonds1

About 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile

1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile (PubChem CID 117024552) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile
PubChem CID117024552
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile
SMILESCC1(C)CN(c2cccc(F)c2)CCC1C#N
InChIInChI=1S/C14H17FN2/c1-14(2)10-17(7-6-11(14)9-16)13-5-3-4-12(15)8-13/h3-5,8,11H,6-7,10H2,1-2H3
InChIKeySJWHMWYKAWVTSH-UHFFFAOYSA-N
XLogP3.20
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024535
2-[1-(3-fluorophenyl)-3,3-dimethylpiperidin-4-yl]ethanamine
CID 117024822
1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024520
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024761
1-(3-fluorophenyl)-4-methylsulfonylpiperidine
CID 138533528
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
3,3-diethyl-1-(3-fluorophenyl)piperazine
CID 64920188
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 102816849
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 117024510

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile (CID 117024552) is 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile is CC1(C)CN(c2cccc(F)c2)CCC1C#N.
What is the InChIKey of 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile?
The InChIKey is SJWHMWYKAWVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-14(2)10-17(7-6-11(14)9-16)13-5-3-4-12(15)8-13/h3-5,8,11H,6-7,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile?
1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,3-dimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 117024552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).