4-(3-ethylphenyl)piperidine-4-carbonitrile

C14H18N2 — CID 23587408

IUPAC4-(3-ethylphenyl)piperidine-4-carbonitrile
SMILESCCc1cccc(C2(C#N)CCNCC2)c1
InChIInChI=1S/C14H18N2/c1-2-12-4-3-5-13(10-12)14(11-15)6-8-16-9-7-14/h3-5,10,16H,2,6-9H2,1H3
InChIKeySDMFNZKPUDIZEM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.39
Rot. Bonds2

About 4-(3-ethylphenyl)piperidine-4-carbonitrile

4-(3-ethylphenyl)piperidine-4-carbonitrile (PubChem CID 23587408) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(3-ethylphenyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(3-ethylphenyl)piperidine-4-carbonitrile
PubChem CID23587408
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(3-ethylphenyl)piperidine-4-carbonitrile
SMILESCCc1cccc(C2(C#N)CCNCC2)c1
InChIInChI=1S/C14H18N2/c1-2-12-4-3-5-13(10-12)14(11-15)6-8-16-9-7-14/h3-5,10,16H,2,6-9H2,1H3
InChIKeySDMFNZKPUDIZEM-UHFFFAOYSA-N
XLogP2.39
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-ylpiperidine-4-carbonitrile;hydrochloride
CID 67559449
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
4-(4-bromophenyl)piperidine-4-carbonitrile;ethane
CID 144857874
(3S)-3-phenylpyrrolidine-3-carbonitrile
CID 124673264
1-ethyl-3-(1-phenylcyclopropyl)benzene
CID 142848757
4-(4-methyl-1H-indol-2-yl)piperidine-4-carbonitrile
CID 82621768
4-pyridin-4-ylpiperidine-4-carbonitrile;hydrochloride
CID 67562162
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-[3-(1,1-difluorobutyl)phenyl]cyclobutane-1-carbonitrile
CID 116992950
1-(3-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 66875026
4-[(3-ethylphenoxy)methyl]piperidin-4-ol
CID 81043219
1-[3-(3-ethoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169409151

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)piperidine-4-carbonitrile?
The IUPAC name of 4-(3-ethylphenyl)piperidine-4-carbonitrile (CID 23587408) is 4-(3-ethylphenyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(3-ethylphenyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-(3-ethylphenyl)piperidine-4-carbonitrile is CCc1cccc(C2(C#N)CCNCC2)c1.
What is the InChIKey of 4-(3-ethylphenyl)piperidine-4-carbonitrile?
The InChIKey is SDMFNZKPUDIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12-4-3-5-13(10-12)14(11-15)6-8-16-9-7-14/h3-5,10,16H,2,6-9H2,1H3.
What are the key properties of 4-(3-ethylphenyl)piperidine-4-carbonitrile?
4-(3-ethylphenyl)piperidine-4-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)piperidine-4-carbonitrile is sourced from PubChem (CID 23587408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).