1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine

C26H30N2O — CID 23447973

IUPAC1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(c2cccc(OC)c2)c2ccc3ccccc3c2)C(C)C1
InChIInChI=1S/C26H30N2O/c1-4-14-27-15-16-28(20(2)19-27)26(23-10-7-11-25(18-23)29-3)24-13-12-21-8-5-6-9-22(21)17-24/h4-13,17-18,20,26H,1,14-16,19H2,2-3H3
InChIKeyCIJVAAPWZMBJDI-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.13
Rot. Bonds6

About 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine

1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine (PubChem CID 23447973) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine
PubChem CID23447973
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(c2cccc(OC)c2)c2ccc3ccccc3c2)C(C)C1
InChIInChI=1S/C26H30N2O/c1-4-14-27-15-16-28(20(2)19-27)26(23-10-7-11-25(18-23)29-3)24-13-12-21-8-5-6-9-22(21)17-24/h4-13,17-18,20,26H,1,14-16,19H2,2-3H3
InChIKeyCIJVAAPWZMBJDI-UHFFFAOYSA-N
XLogP5.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-N,N-dimethylbenzamide
CID 53257292
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
CID 23447952
[4-[(3-methoxyphenyl)-(9-prop-2-enyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 58313446
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
N-cycloheptyl-4-[(3-methoxyphenyl)-(3-prop-2-enyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]benzamide
CID 53257406
N,N-diethyl-4-(N-[(4S)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide;4-[(R)-[(2S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 160999722
1-[5-[[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-1,3-dihydroisoindol-2-yl]ethanone
CID 59945672
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
CID 70588527
2-[(3R)-3-(3-methoxyphenyl)pent-4-enyl]-1,3-dioxolane
CID 134952605
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
N,N-diethyl-4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]benzamide
CID 58313276
4-[(3-methoxyphenyl)-(9-prop-2-enyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-pyrrolidin-1-ylbenzamide
CID 58313184

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine?
The IUPAC name of 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine (CID 23447973) is 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine is C=CCN1CCN(C(c2cccc(OC)c2)c2ccc3ccccc3c2)C(C)C1.
What is the InChIKey of 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine?
The InChIKey is CIJVAAPWZMBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-14-27-15-16-28(20(2)19-27)26(23-10-7-11-25(18-23)29-3)24-13-12-21-8-5-6-9-22(21)17-24/h4-13,17-18,20,26H,1,14-16,19H2,2-3H3.
What are the key properties of 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine?
1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine has a molecular weight of 386.54 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-naphthalen-2-ylmethyl]-2-methyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 23447973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).