4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline

C18H25N3 — CID 79232796

IUPAC4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
SMILESCC(C)CC1CNCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C18H25N3/c1-14(2)11-16-12-19-9-10-21(16)13-15-7-8-20-18-6-4-3-5-17(15)18/h3-8,14,16,19H,9-13H2,1-2H3
InChIKeyKNXVEQDHVPCMKT-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds4

About 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline

4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline (PubChem CID 79232796) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
PubChem CID79232796
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline
SMILESCC(C)CC1CNCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C18H25N3/c1-14(2)11-16-12-19-9-10-21(16)13-15-7-8-20-18-6-4-3-5-17(15)18/h3-8,14,16,19H,9-13H2,1-2H3
InChIKeyKNXVEQDHVPCMKT-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
methyl 2-[[(2S)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoate
CID 45072969
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786
N',N'-dimethyl-N-[2-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 58808982
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
1-(naphthalen-1-ylmethyl)-2-propylpiperazine
CID 64832736
1-[(4-tert-butylphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64844274
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
4-[[2-(bromomethyl)azepan-1-yl]methyl]quinoline
CID 116638308

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline (CID 79232796) is 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline is CC(C)CC1CNCCN1Cc1ccnc2ccccc12.
What is the InChIKey of 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is KNXVEQDHVPCMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)11-16-12-19-9-10-21(16)13-15-7-8-20-18-6-4-3-5-17(15)18/h3-8,14,16,19H,9-13H2,1-2H3.
What are the key properties of 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline?
4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 79232796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).