8-(piperazin-1-ylmethyl)quinoline;dihydrochloride

C14H19Cl2N3 — CID 82025621

IUPAC8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c(CN3CCNCC3)cccc2c1
InChIInChI=1S/C14H17N3.2ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;;/h1-6,15H,7-11H2;2*1H
InChIKeyXWHWZJMIKSBNJH-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.48
Rot. Bonds2

About 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride

8-(piperazin-1-ylmethyl)quinoline;dihydrochloride (PubChem CID 82025621) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride.

Molecular Properties

Compound Name8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
PubChem CID82025621
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c(CN3CCNCC3)cccc2c1
InChIInChI=1S/C14H17N3.2ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;;/h1-6,15H,7-11H2;2*1H
InChIKeyXWHWZJMIKSBNJH-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377

Frequently Asked Questions

What is the IUPAC name of 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The IUPAC name of 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride (CID 82025621) is 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride.
What is the SMILES notation for 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The canonical SMILES for 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride is Cl.Cl.c1cnc2c(CN3CCNCC3)cccc2c1.
What is the InChIKey of 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The InChIKey is XWHWZJMIKSBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.2ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;;/h1-6,15H,7-11H2;2*1H.
What are the key properties of 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride has a molecular weight of 300.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperazin-1-ylmethyl)quinoline;dihydrochloride is sourced from PubChem (CID 82025621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).