1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine

C20H26N2 — CID 1376793

IUPAC1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-17(2)19-10-8-18(9-11-19)16-21-12-14-22(15-13-21)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3
InChIKeyUIDVYQLUPARINB-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.13
Rot. Bonds4

About 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine

1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 1376793) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID1376793
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-17(2)19-10-8-18(9-11-19)16-21-12-14-22(15-13-21)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3
InChIKeyUIDVYQLUPARINB-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]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 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine (CID 1376793) is 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is UIDVYQLUPARINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-17(2)19-10-8-18(9-11-19)16-21-12-14-22(15-13-21)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 1376793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).