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

C28H31ClN2O2S — CID 24848775

IUPAC1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1.Cl
InChIInChI=1S/C28H30N2O2S.ClH/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27;/h2-12,14,20-21,26H,13,15-19H2,1H3;1H
InChIKeyWDZGCKVOQMYGFF-UHFFFAOYSA-N
MW495.09 g/mol
LogP6.66
Rot. Bonds8

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

1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride (PubChem CID 24848775) has the molecular formula C28H31ClN2O2S and a molecular weight of 495.09 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
PubChem CID24848775
Molecular FormulaC28H31ClN2O2S
Molecular Weight495.09 g/mol
Exact Mass494.18
IUPAC Name1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1.Cl
InChIInChI=1S/C28H30N2O2S.ClH/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27;/h2-12,14,20-21,26H,13,15-19H2,1H3;1H
InChIKeyWDZGCKVOQMYGFF-UHFFFAOYSA-N
XLogP6.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.09
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
1-[3-(1,3-benzodioxol-5-yl)-3-phenoxypropyl]-4-(2-methoxyphenyl)piperazine
CID 101093529
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-di(thiophen-3-yl)butan-1-ol
CID 110181822
2-[4-(2-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)piperazin-1-yl]ethanol;hydrochloride
CID 171318206
1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 131709095
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
CID 15296377
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride (CID 24848775) is 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride is COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride?
The InChIKey is WDZGCKVOQMYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2S.ClH/c1-31-28-11-5-4-10-25(28)30-18-16-29(17-19-30)15-13-26(23-14-20-33-21-23)32-27-12-6-8-22-7-2-3-9-24(22)27;/h2-12,14,20-21,26H,13,15-19H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride?
1-(2-methoxyphenyl)-4-(3-naphthalen-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride has a molecular weight of 495.09 g/mol, XLogP of 6.66, 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-1-yloxy-3-thiophen-3-ylpropyl)piperazine;hydrochloride is sourced from PubChem (CID 24848775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).