2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine

C18H29N3O — CID 82171456

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1N1CCN(C2CC(C)CCC2N)CC1
InChIInChI=1S/C18H29N3O/c1-14-7-8-15(19)17(13-14)21-11-9-20(10-12-21)16-5-3-4-6-18(16)22-2/h3-6,14-15,17H,7-13,19H2,1-2H3
InChIKeyGVGZXMIRSOWHFK-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.33
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine (PubChem CID 82171456) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
PubChem CID82171456
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
SMILESCOc1ccccc1N1CCN(C2CC(C)CCC2N)CC1
InChIInChI=1S/C18H29N3O/c1-14-7-8-15(19)17(13-14)21-11-9-20(10-12-21)16-5-3-4-6-18(16)22-2/h3-6,14-15,17H,7-13,19H2,1-2H3
InChIKeyGVGZXMIRSOWHFK-UHFFFAOYSA-N
XLogP2.33
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
CID 82171487
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
2-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-4-carboxamide
CID 139927940
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
(2S,3S)-5,8-dichloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 54490932
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine (CID 82171456) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine is COc1ccccc1N1CCN(C2CC(C)CCC2N)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine?
The InChIKey is GVGZXMIRSOWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-7-8-15(19)17(13-14)21-11-9-20(10-12-21)16-5-3-4-6-18(16)22-2/h3-6,14-15,17H,7-13,19H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 82171456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).