3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride

C23H34ClN5 — CID 120968349

IUPAC3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
SMILESCl.c1ccc2nc(N3CCCCC3)c(CN3CCC(N4CCNCC4)C3)cc2c1
InChIInChI=1S/C23H33N5.ClH/c1-4-11-28(12-5-1)23-20(16-19-6-2-3-7-22(19)25-23)17-26-13-8-21(18-26)27-14-9-24-10-15-27;/h2-3,6-7,16,21,24H,1,4-5,8-15,17-18H2;1H
InChIKeyLPJBSGOQRAMRIE-UHFFFAOYSA-N
MW416.01 g/mol
LogP3.13
Rot. Bonds4

About 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride

3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride (PubChem CID 120968349) has the molecular formula C23H34ClN5 and a molecular weight of 416.01 g/mol. Its IUPAC name is 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
PubChem CID120968349
Molecular FormulaC23H34ClN5
Molecular Weight416.01 g/mol
Exact Mass415.25
IUPAC Name3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
SMILESCl.c1ccc2nc(N3CCCCC3)c(CN3CCC(N4CCNCC4)C3)cc2c1
InChIInChI=1S/C23H33N5.ClH/c1-4-11-28(12-5-1)23-20(16-19-6-2-3-7-22(19)25-23)17-26-13-8-21(18-26)27-14-9-24-10-15-27;/h2-3,6-7,16,21,24H,1,4-5,8-15,17-18H2;1H
InChIKeyLPJBSGOQRAMRIE-UHFFFAOYSA-N
XLogP3.13
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.01
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
CID 120968620
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967780
1-[1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968337
1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968312
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440

Frequently Asked Questions

What is the IUPAC name of 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride (CID 120968349) is 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride is Cl.c1ccc2nc(N3CCCCC3)c(CN3CCC(N4CCNCC4)C3)cc2c1.
What is the InChIKey of 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride?
The InChIKey is LPJBSGOQRAMRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5.ClH/c1-4-11-28(12-5-1)23-20(16-19-6-2-3-7-22(19)25-23)17-26-13-8-21(18-26)27-14-9-24-10-15-27;/h2-3,6-7,16,21,24H,1,4-5,8-15,17-18H2;1H.
What are the key properties of 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride?
3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride has a molecular weight of 416.01 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 120968349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).