2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride

C17H25Cl2N3 — CID 171284605

IUPAC2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
SMILESCCC[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-2-5-17(20-12-10-18-11-13-20)16-9-8-14-6-3-4-7-15(14)19-16;;/h3-4,6-9,17-18H,2,5,10-13H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyLAWXOPOJQIMDGJ-RMRYJAPISA-N
MW342.31 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride

2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride (PubChem CID 171284605) has the molecular formula C17H25Cl2N3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
PubChem CID171284605
Molecular FormulaC17H25Cl2N3
Molecular Weight342.31 g/mol
Exact Mass341.14
IUPAC Name2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
SMILESCCC[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N3.2ClH/c1-2-5-17(20-12-10-18-11-13-20)16-9-8-14-6-3-4-7-15(14)19-16;;/h3-4,6-9,17-18H,2,5,10-13H2,1H3;2*1H/t17-;;/m0../s1
InChIKeyLAWXOPOJQIMDGJ-RMRYJAPISA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride 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

2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171296088
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718
1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
2-chloro-3-[(1R)-1-piperazin-1-ylhexyl]quinoline
CID 171308399
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride (CID 171284605) is 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride is CCC[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride?
The InChIKey is LAWXOPOJQIMDGJ-RMRYJAPISA-N. The full InChI is InChI=1S/C17H23N3.2ClH/c1-2-5-17(20-12-10-18-11-13-20)16-9-8-14-6-3-4-7-15(14)19-16;;/h3-4,6-9,17-18H,2,5,10-13H2,1H3;2*1H/t17-;;/m0../s1.
What are the key properties of 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride?
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride is sourced from PubChem (CID 171284605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).