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

C14H19Cl2N3 — CID 82025620

IUPAC6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2ccc(CN3CCNCC3)cc2c1
InChIInChI=1S/C14H17N3.2ClH/c1-2-13-10-12(3-4-14(13)16-5-1)11-17-8-6-15-7-9-17;;/h1-5,10,15H,6-9,11H2;2*1H
InChIKeyNQFPOVDBRNFJSC-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.48
Rot. Bonds2

About 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride

6-(piperazin-1-ylmethyl)quinoline;dihydrochloride (PubChem CID 82025620) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride.

Molecular Properties

Compound Name6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
PubChem CID82025620
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2ccc(CN3CCNCC3)cc2c1
InChIInChI=1S/C14H17N3.2ClH/c1-2-13-10-12(3-4-14(13)16-5-1)11-17-8-6-15-7-9-17;;/h1-5,10,15H,6-9,11H2;2*1H
InChIKeyNQFPOVDBRNFJSC-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

6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
6-[(3-propylpiperazin-1-yl)methyl]quinoline
CID 64833799
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64831911
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
CID 79086115
1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
CID 65362005
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
4-methyl-1-(quinolin-6-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 120908917
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
CID 82684729
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572

Frequently Asked Questions

What is the IUPAC name of 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The IUPAC name of 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride (CID 82025620) is 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride.
What is the SMILES notation for 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The canonical SMILES for 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride is Cl.Cl.c1cnc2ccc(CN3CCNCC3)cc2c1.
What is the InChIKey of 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
The InChIKey is NQFPOVDBRNFJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.2ClH/c1-2-13-10-12(3-4-14(13)16-5-1)11-17-8-6-15-7-9-17;;/h1-5,10,15H,6-9,11H2;2*1H.
What are the key properties of 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride?
6-(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 6-(piperazin-1-ylmethyl)quinoline;dihydrochloride is sourced from PubChem (CID 82025620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).