2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile

C22H24N4 — CID 51111982

IUPAC2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12
InChIInChI=1S/C22H24N4/c23-16-21-20(18-26-10-5-4-8-22(21)26)17-25-14-12-24(13-15-25)11-9-19-6-2-1-3-7-19/h1-8,10,18H,9,11-15,17H2
InChIKeyMZCGNTZTYZJMJK-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.17
Rot. Bonds5

About 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile

2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile (PubChem CID 51111982) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
PubChem CID51111982
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12
InChIInChI=1S/C22H24N4/c23-16-21-20(18-26-10-5-4-8-22(21)26)17-25-14-12-24(13-15-25)11-9-19-6-2-1-3-7-19/h1-8,10,18H,9,11-15,17H2
InChIKeyMZCGNTZTYZJMJK-UHFFFAOYSA-N
XLogP3.17
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile (CID 51111982) is 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile is N#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12.
What is the InChIKey of 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is MZCGNTZTYZJMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c23-16-21-20(18-26-10-5-4-8-22(21)26)17-25-14-12-24(13-15-25)11-9-19-6-2-1-3-7-19/h1-8,10,18H,9,11-15,17H2.
What are the key properties of 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile?
2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 344.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 51111982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).