6-[(3-propylpiperazin-1-yl)methyl]quinoline

C17H23N3 — CID 64833799

IUPAC6-[(3-propylpiperazin-1-yl)methyl]quinoline
SMILESCCCC1CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C17H23N3/c1-2-4-16-13-20(10-9-18-16)12-14-6-7-17-15(11-14)5-3-8-19-17/h3,5-8,11,16,18H,2,4,9-10,12-13H2,1H3
InChIKeyUABFXRRCXFXTBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds4

About 6-[(3-propylpiperazin-1-yl)methyl]quinoline

6-[(3-propylpiperazin-1-yl)methyl]quinoline (PubChem CID 64833799) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-[(3-propylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(3-propylpiperazin-1-yl)methyl]quinoline
PubChem CID64833799
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-[(3-propylpiperazin-1-yl)methyl]quinoline
SMILESCCCC1CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C17H23N3/c1-2-4-16-13-20(10-9-18-16)12-14-6-7-17-15(11-14)5-3-8-19-17/h3,5-8,11,16,18H,2,4,9-10,12-13H2,1H3
InChIKeyUABFXRRCXFXTBM-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-propylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(3-propylpiperazin-1-yl)methyl]quinoline (CID 64833799) is 6-[(3-propylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(3-propylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(3-propylpiperazin-1-yl)methyl]quinoline is CCCC1CN(Cc2ccc3ncccc3c2)CCN1.
What is the InChIKey of 6-[(3-propylpiperazin-1-yl)methyl]quinoline?
The InChIKey is UABFXRRCXFXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-16-13-20(10-9-18-16)12-14-6-7-17-15(11-14)5-3-8-19-17/h3,5-8,11,16,18H,2,4,9-10,12-13H2,1H3.
What are the key properties of 6-[(3-propylpiperazin-1-yl)methyl]quinoline?
6-[(3-propylpiperazin-1-yl)methyl]quinoline has a molecular weight of 269.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-propylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64833799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).