2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride

C18H27Cl2N3 — CID 171284611

IUPAC2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-18(2,3)17(21-12-10-19-11-13-21)16-9-8-14-6-4-5-7-15(14)20-16;;/h4-9,17,19H,10-13H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyKAYYQTZWCAZCOB-ZEECNFPPSA-N
MW356.34 g/mol
LogP4.07
Rot. Bonds2

About 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride

2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride (PubChem CID 171284611) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
PubChem CID171284611
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
SMILESCC(C)(C)[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N3.2ClH/c1-18(2,3)17(21-12-10-19-11-13-21)16-9-8-14-6-4-5-7-15(14)20-16;;/h4-9,17,19H,10-13H2,1-3H3;2*1H/t17-;;/m1../s1
InChIKeyKAYYQTZWCAZCOB-ZEECNFPPSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 4574201
1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
CID 171281801
1-[(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171288986

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride (CID 171284611) is 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride is CC(C)(C)[C@@H](c1ccc2ccccc2n1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
The InChIKey is KAYYQTZWCAZCOB-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H25N3.2ClH/c1-18(2,3)17(21-12-10-19-11-13-21)16-9-8-14-6-4-5-7-15(14)20-16;;/h4-9,17,19H,10-13H2,1-3H3;2*1H/t17-;;/m1../s1.
What are the key properties of 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride?
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride is sourced from PubChem (CID 171284611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).