8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline

C20H22N4 — CID 30385370

IUPAC8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)nc1
InChIInChI=1S/C20H22N4/c1-2-9-21-19(8-1)16-24-13-11-23(12-14-24)15-18-6-3-5-17-7-4-10-22-20(17)18/h1-10H,11-16H2
InChIKeyVBOHQDNFKTZUFA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.95
Rot. Bonds4

About 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline

8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline (PubChem CID 30385370) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
PubChem CID30385370
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)nc1
InChIInChI=1S/C20H22N4/c1-2-9-21-19(8-1)16-24-13-11-23(12-14-24)15-18-6-3-5-17-7-4-10-22-20(17)18/h1-10H,11-16H2
InChIKeyVBOHQDNFKTZUFA-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 42344492
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
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-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline (CID 30385370) is 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline is c1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)nc1.
What is the InChIKey of 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is VBOHQDNFKTZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-9-21-19(8-1)16-24-13-11-23(12-14-24)15-18-6-3-5-17-7-4-10-22-20(17)18/h1-10H,11-16H2.
What are the key properties of 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline?
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 318.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 30385370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).