1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile

C21H19N3 — CID 10686671

IUPAC1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C21H19N3/c22-15-16-10-12-24(13-11-16)21-14-20(17-6-2-1-3-7-17)23-19-9-5-4-8-18(19)21/h1-9,14,16H,10-13H2
InChIKeyCNSVOIRBJFWBDF-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.64
Rot. Bonds2

About 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile

1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile (PubChem CID 10686671) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
PubChem CID10686671
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C21H19N3/c22-15-16-10-12-24(13-11-16)21-14-20(17-6-2-1-3-7-17)23-19-9-5-4-8-18(19)21/h1-9,14,16H,10-13H2
InChIKeyCNSVOIRBJFWBDF-UHFFFAOYSA-N
XLogP4.64
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319
8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
CID 86273341
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
CID 86273574
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile (CID 10686671) is 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile is N#CC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile?
The InChIKey is CNSVOIRBJFWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c22-15-16-10-12-24(13-11-16)21-14-20(17-6-2-1-3-7-17)23-19-9-5-4-8-18(19)21/h1-9,14,16H,10-13H2.
What are the key properties of 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile?
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 10686671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).