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

C20H29Cl2N3 — CID 171284597

IUPAC2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3.2ClH/c1-2-7-17(8-3-1)20(23-14-12-21-13-15-23)19-11-10-16-6-4-5-9-18(16)22-19;;/h4-6,9-11,17,20-21H,1-3,7-8,12-15H2;2*1H/t20-;;/m0../s1
InChIKeyQNGIGTJMCZMDGN-FJSYBICCSA-N
MW382.38 g/mol
LogP4.61
Rot. Bonds3

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

2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride (PubChem CID 171284597) has the molecular formula C20H29Cl2N3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
PubChem CID171284597
Molecular FormulaC20H29Cl2N3
Molecular Weight382.38 g/mol
Exact Mass381.17
IUPAC Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2nc([C@H](C3CCCCC3)N3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3.2ClH/c1-2-7-17(8-3-1)20(23-14-12-21-13-15-23)19-11-10-16-6-4-5-9-18(16)22-19;;/h4-6,9-11,17,20-21H,1-3,7-8,12-15H2;2*1H/t20-;;/m0../s1
InChIKeyQNGIGTJMCZMDGN-FJSYBICCSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.61
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)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]quinoline;dihydrochloride
CID 171284607
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
CID 171284710
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride (CID 171284597) is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride is Cl.Cl.c1ccc2nc([C@H](C3CCCCC3)N3CCNCC3)ccc2c1.
What is the InChIKey of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
The InChIKey is QNGIGTJMCZMDGN-FJSYBICCSA-N. The full InChI is InChI=1S/C20H27N3.2ClH/c1-2-7-17(8-3-1)20(23-14-12-21-13-15-23)19-11-10-16-6-4-5-9-18(16)22-19;;/h4-6,9-11,17,20-21H,1-3,7-8,12-15H2;2*1H/t20-;;/m0../s1.
What are the key properties of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride?
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride is sourced from PubChem (CID 171284597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).