1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile

C15H16N4 — CID 79086115

IUPAC1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H16N4/c16-9-14-10-17-6-7-19(14)11-12-3-4-15-13(8-12)2-1-5-18-15/h1-5,8,14,17H,6-7,10-11H2
InChIKeyIFYDYJRWYUWVKW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.53
Rot. Bonds2

About 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile

1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile (PubChem CID 79086115) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
PubChem CID79086115
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H16N4/c16-9-14-10-17-6-7-19(14)11-12-3-4-15-13(8-12)2-1-5-18-15/h1-5,8,14,17H,6-7,10-11H2
InChIKeyIFYDYJRWYUWVKW-UHFFFAOYSA-N
XLogP1.53
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
CID 79086103
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-[(2-chloro-3-pyridinyl)methyl]piperazine-2-carbonitrile
CID 79084941
1-[(4-chlorophenyl)methyl]piperazine-2-carbonitrile
CID 79085643
1-[(3-bromophenyl)methyl]piperazine-2-carbonitrile
CID 79085002
1-[(3,4-dimethoxyphenyl)methyl]piperazine-2-carbonitrile
CID 79085542
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
1-[(3-nitrophenyl)methyl]piperazine-2-carbonitrile
CID 79085751
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360
1-[(3-bromo-5-fluorophenyl)methyl]piperazine-2-carbonitrile
CID 79701598
1-(1,3-benzoxazol-2-ylmethyl)piperazine-2-carbonitrile
CID 79085147

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile (CID 79086115) is 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile is N#CC1CNCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile?
The InChIKey is IFYDYJRWYUWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-9-14-10-17-6-7-19(14)11-12-3-4-15-13(8-12)2-1-5-18-15/h1-5,8,14,17H,6-7,10-11H2.
What are the key properties of 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile?
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).