4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline

C18H25N3 — CID 79232784

IUPAC4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCCC(C)C1CN(Cc2ccnc3ccccc23)CCN1
InChIInChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3
InChIKeyYJJGRHJODZRJQS-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds4

About 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline

4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 79232784) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID79232784
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCCC(C)C1CN(Cc2ccnc3ccccc23)CCN1
InChIInChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3
InChIKeyYJJGRHJODZRJQS-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

4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
3-butan-2-yl-1-[(4-chloro-2-fluorophenyl)methyl]piperazine
CID 114860303
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]piperazine
CID 64832896
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
3-butan-2-yl-1-[(5-ethylthiophen-2-yl)methyl]piperazine
CID 64831519
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
5-[(3-butan-2-ylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925150
4-[(1R)-1-[1-(quinolin-4-ylmethyl)piperidin-4-yl]ethyl]morpholine
CID 95144633

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline (CID 79232784) is 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline is CCC(C)C1CN(Cc2ccnc3ccccc23)CCN1.
What is the InChIKey of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is YJJGRHJODZRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3.
What are the key properties of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
4-[(3-butan-2-ylpiperazin-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-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 79232784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).