4-(1-piperazin-1-ylpropan-2-yl)quinoline

C16H21N3 — CID 116985454

IUPAC4-(1-piperazin-1-ylpropan-2-yl)quinoline
SMILESCC(CN1CCNCC1)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3/c1-13(12-19-10-8-17-9-11-19)14-6-7-18-16-5-3-2-4-15(14)16/h2-7,13,17H,8-12H2,1H3
InChIKeyXTNCWLDQRNEMOR-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.24
Rot. Bonds3

About 4-(1-piperazin-1-ylpropan-2-yl)quinoline

4-(1-piperazin-1-ylpropan-2-yl)quinoline (PubChem CID 116985454) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(1-piperazin-1-ylpropan-2-yl)quinoline.

Molecular Properties

Compound Name4-(1-piperazin-1-ylpropan-2-yl)quinoline
PubChem CID116985454
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(1-piperazin-1-ylpropan-2-yl)quinoline
SMILESCC(CN1CCNCC1)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3/c1-13(12-19-10-8-17-9-11-19)14-6-7-18-16-5-3-2-4-15(14)16/h2-7,13,17H,8-12H2,1H3
InChIKeyXTNCWLDQRNEMOR-UHFFFAOYSA-N
XLogP2.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]quinoline
CID 171297275
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
CID 160608048
CID 160608048
tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane
CID 101225557

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperazin-1-ylpropan-2-yl)quinoline?
The IUPAC name of 4-(1-piperazin-1-ylpropan-2-yl)quinoline (CID 116985454) is 4-(1-piperazin-1-ylpropan-2-yl)quinoline.
What is the SMILES notation for 4-(1-piperazin-1-ylpropan-2-yl)quinoline?
The canonical SMILES for 4-(1-piperazin-1-ylpropan-2-yl)quinoline is CC(CN1CCNCC1)c1ccnc2ccccc12.
What is the InChIKey of 4-(1-piperazin-1-ylpropan-2-yl)quinoline?
The InChIKey is XTNCWLDQRNEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(12-19-10-8-17-9-11-19)14-6-7-18-16-5-3-2-4-15(14)16/h2-7,13,17H,8-12H2,1H3.
What are the key properties of 4-(1-piperazin-1-ylpropan-2-yl)quinoline?
4-(1-piperazin-1-ylpropan-2-yl)quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperazin-1-ylpropan-2-yl)quinoline is sourced from PubChem (CID 116985454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).