1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine

C21H26N2O — CID 7441356

IUPAC1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H26N2O/c1-24-21-9-5-4-8-20(21)23-14-12-22(13-15-23)19-11-10-17-6-2-3-7-18(17)16-19/h2-9,19H,10-16H2,1H3/t19-/m1/s1
InChIKeyFUSCAHOAYZJNNW-LJQANCHMSA-N
MW322.45 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine

1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine (PubChem CID 7441356) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
PubChem CID7441356
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H26N2O/c1-24-21-9-5-4-8-20(21)23-14-12-22(13-15-23)19-11-10-17-6-2-3-7-18(17)16-19/h2-9,19H,10-16H2,1H3/t19-/m1/s1
InChIKeyFUSCAHOAYZJNNW-LJQANCHMSA-N
XLogP3.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine (CID 7441356) is 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine is COc1ccccc1N1CCN([C@@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
The InChIKey is FUSCAHOAYZJNNW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-21-9-5-4-8-20(21)23-14-12-22(13-15-23)19-11-10-17-6-2-3-7-18(17)16-19/h2-9,19H,10-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine?
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine is sourced from PubChem (CID 7441356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).