1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine

C18H28N2O — CID 124636506

IUPAC1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H28N2O/c1-15-7-3-4-8-16(15)19-11-13-20(14-12-19)17-9-5-6-10-18(17)21-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/t15-,16-/m1/s1
InChIKeySIFBWQMIVKFLQO-HZPDHXFCSA-N
MW288.44 g/mol
LogP3.40
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine

1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine (PubChem CID 124636506) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
PubChem CID124636506
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H28N2O/c1-15-7-3-4-8-16(15)19-11-13-20(14-12-19)17-9-5-6-10-18(17)21-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/t15-,16-/m1/s1
InChIKeySIFBWQMIVKFLQO-HZPDHXFCSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
CID 82171487
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
2-cyclopentyl-1-[(3S,4S)-3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidin-1-yl]ethanone
CID 56867819
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine (CID 124636506) is 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine is COc1ccccc1N1CCN([C@@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine?
The InChIKey is SIFBWQMIVKFLQO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-7-3-4-8-16(15)19-11-13-20(14-12-19)17-9-5-6-10-18(17)21-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine?
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine has a molecular weight of 288.44 g/mol, XLogP of 3.40, 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-[(1R,2R)-2-methylcyclohexyl]piperazine is sourced from PubChem (CID 124636506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).