1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile

C12H23N5 — CID 82892035

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
SMILESCN1CCN(CCN2CCNCC2C#N)CC1
InChIInChI=1S/C12H23N5/c1-15-4-6-16(7-5-15)8-9-17-3-2-14-11-12(17)10-13/h12,14H,2-9,11H2,1H3
InChIKeyYIJWDGXKWZKVRC-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.97
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile

1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile (PubChem CID 82892035) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
PubChem CID82892035
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile
SMILESCN1CCN(CCN2CCNCC2C#N)CC1
InChIInChI=1S/C12H23N5/c1-15-4-6-16(7-5-15)8-9-17-3-2-14-11-12(17)10-13/h12,14H,2-9,11H2,1H3
InChIKeyYIJWDGXKWZKVRC-UHFFFAOYSA-N
XLogP-0.97
TPSA45.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile (CID 82892035) is 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile is CN1CCN(CCN2CCNCC2C#N)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile?
The InChIKey is YIJWDGXKWZKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-15-4-6-16(7-5-15)8-9-17-3-2-14-11-12(17)10-13/h12,14H,2-9,11H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile?
1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 82892035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).