1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine

C19H24N2O — CID 763918

IUPAC1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCCOc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-19-10-8-17(9-11-19)16-20-12-14-21(15-13-20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyYSSOIXWJKOJSGI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine

1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 763918) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID763918
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCCOc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-22-19-10-8-17(9-11-19)16-20-12-14-21(15-13-20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKeyYSSOIXWJKOJSGI-UHFFFAOYSA-N
XLogP3.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine (CID 763918) is 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine is CCOc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is YSSOIXWJKOJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-22-19-10-8-17(9-11-19)16-20-12-14-21(15-13-20)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine?
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine has a molecular weight of 296.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 763918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).