4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile

C25H26N2 — CID 57418062

IUPAC4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
SMILESCC1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C25H26N2/c1-19-4-2-3-14-27(19)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-26)7-9-22/h5-12,16-17,19H,2-4,13-15H2,1H3
InChIKeyZXKMLLOCABBRCL-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.80
Rot. Bonds4

About 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile

4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 57418062) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
PubChem CID57418062
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
SMILESCC1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C25H26N2/c1-19-4-2-3-14-27(19)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-26)7-9-22/h5-12,16-17,19H,2-4,13-15H2,1H3
InChIKeyZXKMLLOCABBRCL-UHFFFAOYSA-N
XLogP5.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
4-[6-[2-[2-(diethylamino)pyrrolidin-1-yl]ethyl]naphthalen-2-yl]benzonitrile
CID 10046373
4-[3-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]benzonitrile
CID 10088709
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809
5-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinolin-7-yl]pyridine-3-carbonitrile
CID 25196515
2,3-dihydroxybutanedioic acid;4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzonitrile
CID 72748659
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
CID 67534035
[6-[2-(2-methylpiperidin-1-yl)ethyl]-3-propanoyloxynaphthalen-2-yl] propanoate;hydrochloride
CID 70551238
4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 67533834
[5-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]isoindol-2-yl]-(oxan-4-yl)methanone
CID 68782789

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile (CID 57418062) is 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile is CC1CCCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is ZXKMLLOCABBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-19-4-2-3-14-27(19)15-13-20-5-10-25-17-24(12-11-23(25)16-20)22-8-6-21(18-26)7-9-22/h5-12,16-17,19H,2-4,13-15H2,1H3.
What are the key properties of 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 354.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 57418062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).