4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline

C16H19N3 — CID 171284620

IUPAC4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
SMILESC=C[C@@H](c1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C16H19N3/c1-2-16(19-11-9-17-10-12-19)14-7-8-18-15-6-4-3-5-13(14)15/h2-8,16-17H,1,9-12H2/t16-/m0/s1
InChIKeyCQGCHEBHDXBABV-INIZCTEOSA-N
MW253.35 g/mol
LogP2.37
Rot. Bonds3

About 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline

4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline (PubChem CID 171284620) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline.

Molecular Properties

Compound Name4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
PubChem CID171284620
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
SMILESC=C[C@@H](c1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C16H19N3/c1-2-16(19-11-9-17-10-12-19)14-7-8-18-15-6-4-3-5-13(14)15/h2-8,16-17H,1,9-12H2/t16-/m0/s1
InChIKeyCQGCHEBHDXBABV-INIZCTEOSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]quinoline
CID 171297275
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
CID 171304964
1-[(1S)-1-(2-bromo-3-pyridinyl)prop-2-enyl]piperazine
CID 131527981
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
1-[(1S)-1-(2-chloro-3-pyridinyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273123
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
1-[(1R)-1-(2-fluorophenyl)prop-2-enyl]piperazine
CID 102231371
4-(1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985454

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline?
The IUPAC name of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline (CID 171284620) is 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline.
What is the SMILES notation for 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline?
The canonical SMILES for 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline is C=C[C@@H](c1ccnc2ccccc12)N1CCNCC1.
What is the InChIKey of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline?
The InChIKey is CQGCHEBHDXBABV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-16(19-11-9-17-10-12-19)14-7-8-18-15-6-4-3-5-13(14)15/h2-8,16-17H,1,9-12H2/t16-/m0/s1.
What are the key properties of 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline?
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline has a molecular weight of 253.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline is sourced from PubChem (CID 171284620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).