1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine

C27H34N2O3 — CID 139810777

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine
SMILESCOc1ccc(CN2CCN(CCOCCc3ccc4ccccc4c3)CC2)c(OC)c1
InChIInChI=1S/C27H34N2O3/c1-30-26-10-9-25(27(20-26)31-2)21-29-14-12-28(13-15-29)16-18-32-17-11-22-7-8-23-5-3-4-6-24(23)19-22/h3-10,19-20H,11-18,21H2,1-2H3
InChIKeyWQYOWANNEBJHPW-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.23
Rot. Bonds10

About 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine (PubChem CID 139810777) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine
PubChem CID139810777
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine
SMILESCOc1ccc(CN2CCN(CCOCCc3ccc4ccccc4c3)CC2)c(OC)c1
InChIInChI=1S/C27H34N2O3/c1-30-26-10-9-25(27(20-26)31-2)21-29-14-12-28(13-15-29)16-18-32-17-11-22-7-8-23-5-3-4-6-24(23)19-22/h3-10,19-20H,11-18,21H2,1-2H3
InChIKeyWQYOWANNEBJHPW-UHFFFAOYSA-N
XLogP4.23
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.23
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

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810877
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 51119412
1-[2-[2-(1-benzothiophen-3-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810824
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-[3-(4-methoxyphenyl)propyl]piperazine
CID 139810904
1-[2-[2-(1-benzofuran-5-yl)ethoxy]ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 139810806
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4755052

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine (CID 139810777) is 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine is COc1ccc(CN2CCN(CCOCCc3ccc4ccccc4c3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine?
The InChIKey is WQYOWANNEBJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-30-26-10-9-25(27(20-26)31-2)21-29-14-12-28(13-15-29)16-18-32-17-11-22-7-8-23-5-3-4-6-24(23)19-22/h3-10,19-20H,11-18,21H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine?
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine has a molecular weight of 434.58 g/mol, XLogP of 4.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-[2-(2-naphthalen-2-ylethoxy)ethyl]piperazine is sourced from PubChem (CID 139810777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).