4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile

C17H21N3 — CID 126619493

IUPAC4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
SMILESCC1=C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C17H21N3/c1-14-2-5-17(12-14)20-10-8-19(9-11-20)16-6-3-15(13-18)4-7-16/h3-4,6-7,12,17H,2,5,8-11H2,1H3/t17-/m1/s1
InChIKeyUFQNXCLEZLTQLA-QGZVFWFLSA-N
MW267.38 g/mol
LogP2.79
Rot. Bonds2

About 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile

4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile (PubChem CID 126619493) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
PubChem CID126619493
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile
SMILESCC1=C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CC1
InChIInChI=1S/C17H21N3/c1-14-2-5-17(12-14)20-10-8-19(9-11-20)16-6-3-15(13-18)4-7-16/h3-4,6-7,12,17H,2,5,8-11H2,1H3/t17-/m1/s1
InChIKeyUFQNXCLEZLTQLA-QGZVFWFLSA-N
XLogP2.79
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile (CID 126619493) is 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile is CC1=C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile?
The InChIKey is UFQNXCLEZLTQLA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-2-5-17(12-14)20-10-8-19(9-11-20)16-6-3-15(13-18)4-7-16/h3-4,6-7,12,17H,2,5,8-11H2,1H3/t17-/m1/s1.
What are the key properties of 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile?
4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile has a molecular weight of 267.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1R)-3-methylcyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 126619493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).