1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C21H34N2O3 — CID 1148341

IUPAC1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN([C@@H]3CCCC[C@@H]3C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N2O3/c1-16-7-5-6-8-18(16)23-13-11-22(12-14-23)15-17-9-10-19(24-2)21(26-4)20(17)25-3/h9-10,16,18H,5-8,11-15H2,1-4H3/t16-,18+/m0/s1
InChIKeyMQQNSGUELLSMFA-FUHWJXTLSA-N
MW362.51 g/mol
LogP3.41
Rot. Bonds6

About 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 1148341) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID1148341
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN([C@@H]3CCCC[C@@H]3C)CC2)c(OC)c1OC
InChIInChI=1S/C21H34N2O3/c1-16-7-5-6-8-18(16)23-13-11-22(12-14-23)15-17-9-10-19(24-2)21(26-4)20(17)25-3/h9-10,16,18H,5-8,11-15H2,1-4H3/t16-,18+/m0/s1
InChIKeyMQQNSGUELLSMFA-FUHWJXTLSA-N
XLogP3.41
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-(1-benzylpiperidin-4-yl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148359
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
[(2R)-pyrrolidin-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 57148141

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 1148341) is 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN([C@@H]3CCCC[C@@H]3C)CC2)c(OC)c1OC.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is MQQNSGUELLSMFA-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-16-7-5-6-8-18(16)23-13-11-22(12-14-23)15-17-9-10-19(24-2)21(26-4)20(17)25-3/h9-10,16,18H,5-8,11-15H2,1-4H3/t16-,18+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 362.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1148341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).