3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile

C12H21N3 — CID 80705616

IUPAC3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile
SMILESCC1(C)CCC(C#N)(N2CCNCC2)C1
InChIInChI=1S/C12H21N3/c1-11(2)3-4-12(9-11,10-13)15-7-5-14-6-8-15/h14H,3-9H2,1-2H3
InChIKeyVBODZUBKDHJCMX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.36
Rot. Bonds1

About 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile

3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile (PubChem CID 80705616) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile
PubChem CID80705616
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile
SMILESCC1(C)CCC(C#N)(N2CCNCC2)C1
InChIInChI=1S/C12H21N3/c1-11(2)3-4-12(9-11,10-13)15-7-5-14-6-8-15/h14H,3-9H2,1-2H3
InChIKeyVBODZUBKDHJCMX-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile (CID 80705616) is 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile is CC1(C)CCC(C#N)(N2CCNCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is VBODZUBKDHJCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)3-4-12(9-11,10-13)15-7-5-14-6-8-15/h14H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile?
3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-piperazin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 80705616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).