2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine

C22H30N2 — CID 174905579

IUPAC2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
SMILESCCc1ccc(CCCc2cccc(CC3CNCCN3)c2)cc1
InChIInChI=1S/C22H30N2/c1-2-18-9-11-19(12-10-18)5-3-6-20-7-4-8-21(15-20)16-22-17-23-13-14-24-22/h4,7-12,15,22-24H,2-3,5-6,13-14,16-17H2,1H3
InChIKeyUGEWKKURKCEYKK-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.53
Rot. Bonds7

About 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine

2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine (PubChem CID 174905579) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
PubChem CID174905579
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine
SMILESCCc1ccc(CCCc2cccc(CC3CNCCN3)c2)cc1
InChIInChI=1S/C22H30N2/c1-2-18-9-11-19(12-10-18)5-3-6-20-7-4-8-21(15-20)16-22-17-23-13-14-24-22/h4,7-12,15,22-24H,2-3,5-6,13-14,16-17H2,1H3
InChIKeyUGEWKKURKCEYKK-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine?
The IUPAC name of 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine (CID 174905579) is 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine.
What is the SMILES notation for 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine?
The canonical SMILES for 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine is CCc1ccc(CCCc2cccc(CC3CNCCN3)c2)cc1.
What is the InChIKey of 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine?
The InChIKey is UGEWKKURKCEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-2-18-9-11-19(12-10-18)5-3-6-20-7-4-8-21(15-20)16-22-17-23-13-14-24-22/h4,7-12,15,22-24H,2-3,5-6,13-14,16-17H2,1H3.
What are the key properties of 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine?
2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine has a molecular weight of 322.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(4-ethylphenyl)propyl]phenyl]methyl]piperazine is sourced from PubChem (CID 174905579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).