1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine

C27H32N2O3 — CID 2846107

IUPAC1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C27H32N2O3/c1-3-31-25-12-8-7-11-24(25)29-17-15-28(16-18-29)20-23-13-14-26(27(19-23)30-2)32-21-22-9-5-4-6-10-22/h4-14,19H,3,15-18,20-21H2,1-2H3
InChIKeyIIEPXNVIPLFQDO-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.00
Rot. Bonds9

About 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine

1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 2846107) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID2846107
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1
InChIInChI=1S/C27H32N2O3/c1-3-31-25-12-8-7-11-24(25)29-17-15-28(16-18-29)20-23-13-14-26(27(19-23)30-2)32-21-22-9-5-4-6-10-22/h4-14,19H,3,15-18,20-21H2,1-2H3
InChIKeyIIEPXNVIPLFQDO-UHFFFAOYSA-N
XLogP5.00
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1376813
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
CID 2912108
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-benzylsulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4647369
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 2095519
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine (CID 2846107) is 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine is CCOc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is IIEPXNVIPLFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-3-31-25-12-8-7-11-24(25)29-17-15-28(16-18-29)20-23-13-14-26(27(19-23)30-2)32-21-22-9-5-4-6-10-22/h4-14,19H,3,15-18,20-21H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine?
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 432.56 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2846107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).