1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine

C20H32N2 — CID 143025775

IUPAC1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine
SMILESCc1ccc(C)c(N2CCN(C(C)C3CCC(C)C3)CC2)c1
InChIInChI=1S/C20H32N2/c1-15-6-8-19(13-15)18(4)21-9-11-22(12-10-21)20-14-16(2)5-7-17(20)3/h5,7,14-15,18-19H,6,8-13H2,1-4H3
InChIKeyVOLNJEVRTBBVSP-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.25
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine

1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine (PubChem CID 143025775) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine
PubChem CID143025775
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine
SMILESCc1ccc(C)c(N2CCN(C(C)C3CCC(C)C3)CC2)c1
InChIInChI=1S/C20H32N2/c1-15-6-8-19(13-15)18(4)21-9-11-22(12-10-21)20-14-16(2)5-7-17(20)3/h5,7,14-15,18-19H,6,8-13H2,1-4H3
InChIKeyVOLNJEVRTBBVSP-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine (CID 143025775) is 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine is Cc1ccc(C)c(N2CCN(C(C)C3CCC(C)C3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine?
The InChIKey is VOLNJEVRTBBVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-15-6-8-19(13-15)18(4)21-9-11-22(12-10-21)20-14-16(2)5-7-17(20)3/h5,7,14-15,18-19H,6,8-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine?
1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine has a molecular weight of 300.49 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[1-(3-methylcyclopentyl)ethyl]piperazine is sourced from PubChem (CID 143025775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).