1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine

C28H30N2O2S — CID 10623767

IUPAC1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2ccc3ccccc3c2)c2cccs2)CC1
InChIInChI=1S/C28H30N2O2S/c1-31-26-10-5-4-9-25(26)30-18-16-29(17-19-30)15-14-27(28-11-6-20-33-28)32-24-13-12-22-7-2-3-8-23(22)21-24/h2-13,20-21,27H,14-19H2,1H3
InChIKeyWRXKHGNTBAKEGG-UHFFFAOYSA-N
MW458.63 g/mol
LogP6.24
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine

1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine (PubChem CID 10623767) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
PubChem CID10623767
Molecular FormulaC28H30N2O2S
Molecular Weight458.63 g/mol
Exact Mass458.20
IUPAC Name1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
SMILESCOc1ccccc1N1CCN(CCC(Oc2ccc3ccccc3c2)c2cccs2)CC1
InChIInChI=1S/C28H30N2O2S/c1-31-26-10-5-4-9-25(26)30-18-16-29(17-19-30)15-14-27(28-11-6-20-33-28)32-24-13-12-22-7-2-3-8-23(22)21-24/h2-13,20-21,27H,14-19H2,1H3
InChIKeyWRXKHGNTBAKEGG-UHFFFAOYSA-N
XLogP6.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-fluorophenyl)-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine
CID 93000836
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
CID 24848775
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methoxyphenyl)piperazine
CID 101093529
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8687425
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
CID 42867723
1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
CID 138724047
1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
CID 174363405
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10248783
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine (CID 10623767) is 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine is COc1ccccc1N1CCN(CCC(Oc2ccc3ccccc3c2)c2cccs2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine?
The InChIKey is WRXKHGNTBAKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2S/c1-31-26-10-5-4-9-25(26)30-18-16-29(17-19-30)15-14-27(28-11-6-20-33-28)32-24-13-12-22-7-2-3-8-23(22)21-24/h2-13,20-21,27H,14-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine?
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine has a molecular weight of 458.63 g/mol, XLogP of 6.24, 8 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-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 10623767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).