2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride

C17H23Cl2N3 — CID 171284591

IUPAC2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](C3CC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C17H21N3.2ClH/c1-2-4-15-13(3-1)7-8-16(19-15)17(14-5-6-14)20-11-9-18-10-12-20;;/h1-4,7-8,14,17-18H,5-6,9-12H2;2*1H/t17-;;/m0../s1
InChIKeyWGUKBJSXVMFPKN-RMRYJAPISA-N
MW340.30 g/mol
LogP3.43
Rot. Bonds3

About 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride

2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride (PubChem CID 171284591) has the molecular formula C17H23Cl2N3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
PubChem CID171284591
Molecular FormulaC17H23Cl2N3
Molecular Weight340.30 g/mol
Exact Mass339.13
IUPAC Name2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](C3CC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C17H21N3.2ClH/c1-2-4-15-13(3-1)7-8-16(19-15)17(14-5-6-14)20-11-9-18-10-12-20;;/h1-4,7-8,14,17-18H,5-6,9-12H2;2*1H/t17-;;/m0../s1
InChIKeyWGUKBJSXVMFPKN-RMRYJAPISA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171274651
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718
2-cyclopropyl-2-quinolin-2-ylacetonitrile
CID 175668506

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride (CID 171284591) is 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride is Cl.Cl.c1ccc2nc([C@H](C3CC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The InChIKey is WGUKBJSXVMFPKN-RMRYJAPISA-N. The full InChI is InChI=1S/C17H21N3.2ClH/c1-2-4-15-13(3-1)7-8-16(19-15)17(14-5-6-14)20-11-9-18-10-12-20;;/h1-4,7-8,14,17-18H,5-6,9-12H2;2*1H/t17-;;/m0../s1.
What are the key properties of 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride is sourced from PubChem (CID 171284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).