1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine

C28H36N4O — CID 140993283

IUPAC1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCc3ccc4ccccc4c3)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H36N4O/c1-29-13-17-32(18-14-29)27-22-26(9-10-28(27)33-2)31-19-15-30(16-20-31)12-11-23-7-8-24-5-3-4-6-25(24)21-23/h3-10,21-22H,11-20H2,1-2H3
InChIKeyPBHYFTBDEMQTMT-UHFFFAOYSA-N
MW444.62 g/mol
LogP3.96
Rot. Bonds6

About 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine (PubChem CID 140993283) has the molecular formula C28H36N4O and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
PubChem CID140993283
Molecular FormulaC28H36N4O
Molecular Weight444.62 g/mol
Exact Mass444.29
IUPAC Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
SMILESCOc1ccc(N2CCN(CCc3ccc4ccccc4c3)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C28H36N4O/c1-29-13-17-32(18-14-29)27-22-26(9-10-28(27)33-2)31-19-15-30(16-20-31)12-11-23-7-8-24-5-3-4-6-25(24)21-23/h3-10,21-22H,11-20H2,1-2H3
InChIKeyPBHYFTBDEMQTMT-UHFFFAOYSA-N
XLogP3.96
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
CID 140993259
3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
CID 141072209
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
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-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
CID 10547091
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(2-methoxyphenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
CID 122180568
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine?
The IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine (CID 140993283) is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine?
The canonical SMILES for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine is COc1ccc(N2CCN(CCc3ccc4ccccc4c3)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine?
The InChIKey is PBHYFTBDEMQTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O/c1-29-13-17-32(18-14-29)27-22-26(9-10-28(27)33-2)31-19-15-30(16-20-31)12-11-23-7-8-24-5-3-4-6-25(24)21-23/h3-10,21-22H,11-20H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine?
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine has a molecular weight of 444.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine is sourced from PubChem (CID 140993283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).