1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

C21H34N2O4 — CID 1361065

IUPAC1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN([C@@H]2CCCC[C@@H]2OC)CC1
InChIInChI=1S/C21H34N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h13-14,17-18H,5-12,15H2,1-4H3/t17-,18+/m1/s1
InChIKeyDDSPTLXNWPWAQQ-MSOLQXFVSA-N
MW378.51 g/mol
LogP2.79
Rot. Bonds7

About 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1361065) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1361065
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(OC)c(OC)cc1CN1CCN([C@@H]2CCCC[C@@H]2OC)CC1
InChIInChI=1S/C21H34N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h13-14,17-18H,5-12,15H2,1-4H3/t17-,18+/m1/s1
InChIKeyDDSPTLXNWPWAQQ-MSOLQXFVSA-N
XLogP2.79
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,3R)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131768
1-(2-adamantyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 997983
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 6556241
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
4-bromo-2-[[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1148389
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 98124868
3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203197
1-ethylsulfonyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 2902257

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 1361065) is 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(OC)c(OC)cc1CN1CCN([C@@H]2CCCC[C@@H]2OC)CC1.
What is the InChIKey of 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is DDSPTLXNWPWAQQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-20(26-3)21(27-4)14-19(16)25-2/h13-14,17-18H,5-12,15H2,1-4H3/t17-,18+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 378.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1361065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).