1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine

C24H28N2O — CID 23447952

IUPAC1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
SMILESCOc1cccc(C(c2cccc3ccccc23)N2CC(C)NCC2C)c1
InChIInChI=1S/C24H28N2O/c1-17-16-26(18(2)15-25-17)24(20-10-6-11-21(14-20)27-3)23-13-7-9-19-8-4-5-12-22(19)23/h4-14,17-18,24-25H,15-16H2,1-3H3
InChIKeyOAVBQUUXICGQOP-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.62
Rot. Bonds4

About 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine

1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine (PubChem CID 23447952) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
PubChem CID23447952
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
SMILESCOc1cccc(C(c2cccc3ccccc23)N2CC(C)NCC2C)c1
InChIInChI=1S/C24H28N2O/c1-17-16-26(18(2)15-25-17)24(20-10-6-11-21(14-20)27-3)23-13-7-9-19-8-4-5-12-22(19)23/h4-14,17-18,24-25H,15-16H2,1-3H3
InChIKeyOAVBQUUXICGQOP-UHFFFAOYSA-N
XLogP4.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3842624
3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
CID 56974492
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
CID 20612350
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
CID 64954877
1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine
CID 23447973
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
2-(2,6-dimethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81133921
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
8-methoxy-3-methyl-1-(1-phenylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251733

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine (CID 23447952) is 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine is COc1cccc(C(c2cccc3ccccc23)N2CC(C)NCC2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine?
The InChIKey is OAVBQUUXICGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-17-16-26(18(2)15-25-17)24(20-10-6-11-21(14-20)27-3)23-13-7-9-19-8-4-5-12-22(19)23/h4-14,17-18,24-25H,15-16H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine?
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine has a molecular weight of 360.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 23447952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).