1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine

C27H32N2O3 — CID 139690645

IUPAC1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H32N2O3/c1-30-27-11-6-5-10-26(27)29-19-17-28(18-20-29)16-7-21-31-24-12-14-25(15-13-24)32-22-23-8-3-2-4-9-23/h2-6,8-15H,7,16-22H2,1H3
InChIKeyCWSWLPZREWUSAQ-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.87
Rot. Bonds10

About 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine

1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine (PubChem CID 139690645) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
PubChem CID139690645
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C27H32N2O3/c1-30-27-11-6-5-10-26(27)29-19-17-28(18-20-29)16-7-21-31-24-12-14-25(15-13-24)32-22-23-8-3-2-4-9-23/h2-6,8-15H,7,16-22H2,1H3
InChIKeyCWSWLPZREWUSAQ-UHFFFAOYSA-N
XLogP4.87
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-5-phenylmethoxyphenyl]methanol
CID 139709112
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
CID 13062009
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione
CID 10323108
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine (CID 139690645) is 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine is COc1ccccc1N1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine?
The InChIKey is CWSWLPZREWUSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-30-27-11-6-5-10-26(27)29-19-17-28(18-20-29)16-7-21-31-24-12-14-25(15-13-24)32-22-23-8-3-2-4-9-23/h2-6,8-15H,7,16-22H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine?
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine has a molecular weight of 432.56 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine is sourced from PubChem (CID 139690645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).