2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline

C18H23N3 — CID 64834096

IUPAC2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C2CC2)CN(Cc2ccc3ccccc3n2)CCN1
InChIInChI=1S/C18H23N3/c1-18(15-7-8-15)13-21(11-10-19-18)12-16-9-6-14-4-2-3-5-17(14)20-16/h2-6,9,15,19H,7-8,10-13H2,1H3
InChIKeyZSWPRLVPGZQMSM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.81
Rot. Bonds3

About 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline

2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline (PubChem CID 64834096) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
PubChem CID64834096
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C2CC2)CN(Cc2ccc3ccccc3n2)CCN1
InChIInChI=1S/C18H23N3/c1-18(15-7-8-15)13-21(11-10-19-18)12-16-9-6-14-4-2-3-5-17(14)20-16/h2-6,9,15,19H,7-8,10-13H2,1H3
InChIKeyZSWPRLVPGZQMSM-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline (CID 64834096) is 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline is CC1(C2CC2)CN(Cc2ccc3ccccc3n2)CCN1.
What is the InChIKey of 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
The InChIKey is ZSWPRLVPGZQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-18(15-7-8-15)13-21(11-10-19-18)12-16-9-6-14-4-2-3-5-17(14)20-16/h2-6,9,15,19H,7-8,10-13H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline?
2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline has a molecular weight of 281.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64834096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).