8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine

C16H22N4 — CID 114502970

IUPAC8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
SMILESCC1CN(C)CCC1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C16H22N4/c1-11-10-20(2)9-7-14(11)19-15-6-5-13(17)12-4-3-8-18-16(12)15/h3-6,8,11,14,19H,7,9-10,17H2,1-2H3
InChIKeyNFHUVQFMEXVMGZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.57
Rot. Bonds2

About 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine

8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine (PubChem CID 114502970) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
PubChem CID114502970
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine
SMILESCC1CN(C)CCC1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C16H22N4/c1-11-10-20(2)9-7-14(11)19-15-6-5-13(17)12-4-3-8-18-16(12)15/h3-6,8,11,14,19H,7,9-10,17H2,1-2H3
InChIKeyNFHUVQFMEXVMGZ-UHFFFAOYSA-N
XLogP2.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine 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

8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 115770250
8-N-(3,4-dimethylcyclohexyl)quinoline-5,8-diamine
CID 64740512
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
CID 106359109
8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
2-N-(1,3-dimethylpiperidin-4-yl)-6-methylpyridine-2,5-diamine
CID 114503076
8-N-[(1,4-dimethylpiperidin-4-yl)methyl]quinoline-5,8-diamine
CID 107163030
3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
CID 106948924
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996
1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114504908
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148

Frequently Asked Questions

What is the IUPAC name of 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine (CID 114502970) is 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine is CC1CN(C)CCC1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine?
The InChIKey is NFHUVQFMEXVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-10-20(2)9-7-14(11)19-15-6-5-13(17)12-4-3-8-18-16(12)15/h3-6,8,11,14,19H,7,9-10,17H2,1-2H3.
What are the key properties of 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine?
8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(1,3-dimethylpiperidin-4-yl)quinoline-5,8-diamine is sourced from PubChem (CID 114502970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).