2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile

C15H18N4 — CID 62673499

IUPAC2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC1CNCCN1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H18N4/c1-12-9-17-5-7-18(12)10-13-11-19-6-3-2-4-15(19)14(13)8-16/h2-4,6,11-12,17H,5,7,9-10H2,1H3
InChIKeyFLVBMMFOKYAGEP-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.60
Rot. Bonds2

About 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile

2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile (PubChem CID 62673499) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
PubChem CID62673499
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC1CNCCN1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H18N4/c1-12-9-17-5-7-18(12)10-13-11-19-6-3-2-4-15(19)14(13)8-16/h2-4,6,11-12,17H,5,7,9-10H2,1H3
InChIKeyFLVBMMFOKYAGEP-UHFFFAOYSA-N
XLogP1.60
TPSA43.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile (CID 62673499) is 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile is CC1CNCCN1Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile?
The InChIKey is FLVBMMFOKYAGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-9-17-5-7-18(12)10-13-11-19-6-3-2-4-15(19)14(13)8-16/h2-4,6,11-12,17H,5,7,9-10H2,1H3.
What are the key properties of 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile?
2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperazin-1-yl)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 62673499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).