(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine

C18H28N2 — CID 121262106

IUPAC(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(C3CCC3)[C@H](C)C2)cc1
InChIInChI=1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)19-11-12-20(15(3)13-19)18-5-4-6-18/h7-10,14-15,18H,4-6,11-13H2,1-3H3/t15-/m1/s1
InChIKeyGEPKPLJSRLXMMO-OAHLLOKOSA-N
MW272.44 g/mol
LogP3.87
Rot. Bonds3

About (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine

(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine (PubChem CID 121262106) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
PubChem CID121262106
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine
SMILESCC(C)c1ccc(N2CCN(C3CCC3)[C@H](C)C2)cc1
InChIInChI=1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)19-11-12-20(15(3)13-19)18-5-4-6-18/h7-10,14-15,18H,4-6,11-13H2,1-3H3/t15-/m1/s1
InChIKeyGEPKPLJSRLXMMO-OAHLLOKOSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine?
The IUPAC name of (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine (CID 121262106) is (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine.
What is the SMILES notation for (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine?
The canonical SMILES for (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine is CC(C)c1ccc(N2CCN(C3CCC3)[C@H](C)C2)cc1.
What is the InChIKey of (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine?
The InChIKey is GEPKPLJSRLXMMO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)16-7-9-17(10-8-16)19-11-12-20(15(3)13-19)18-5-4-6-18/h7-10,14-15,18H,4-6,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine?
(2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclobutyl-2-methyl-4-(4-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 121262106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).