2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile

C12H21N3 — CID 65420090

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-11-4-3-5-12(11,10-13)15-8-6-14(2)7-9-15/h11H,3-9H2,1-2H3
InChIKeyXSBFIGDEIVZRMJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.32
Rot. Bonds1

About 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile

2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 65420090) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
PubChem CID65420090
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC1CCCC1(C#N)N1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-11-4-3-5-12(11,10-13)15-8-6-14(2)7-9-15/h11H,3-9H2,1-2H3
InChIKeyXSBFIGDEIVZRMJ-UHFFFAOYSA-N
XLogP1.32
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile (CID 65420090) is 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile is CC1CCCC1(C#N)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is XSBFIGDEIVZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-4-3-5-12(11,10-13)15-8-6-14(2)7-9-15/h11H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile?
2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65420090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).