1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine

C20H32N2O2 — CID 23791064

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCOc1ccc(CN2CCN(C3CCCCC3C)CC2)c(OC)c1
InChIInChI=1S/C20H32N2O2/c1-16-6-4-5-7-19(16)22-12-10-21(11-13-22)15-17-8-9-18(23-2)14-20(17)24-3/h8-9,14,16,19H,4-7,10-13,15H2,1-3H3
InChIKeyBHLLHFGQRXQFBK-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.40
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine (PubChem CID 23791064) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
PubChem CID23791064
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
SMILESCOc1ccc(CN2CCN(C3CCCCC3C)CC2)c(OC)c1
InChIInChI=1S/C20H32N2O2/c1-16-6-4-5-7-19(16)22-12-10-21(11-13-22)15-17-8-9-18(23-2)14-20(17)24-3/h8-9,14,16,19H,4-7,10-13,15H2,1-3H3
InChIKeyBHLLHFGQRXQFBK-UHFFFAOYSA-N
XLogP3.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 98124868
1-[(1R,2S)-2-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148341
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
1-[(1R,2S)-2-methoxycyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1361065

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine (CID 23791064) is 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine is COc1ccc(CN2CCN(C3CCCCC3C)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
The InChIKey is BHLLHFGQRXQFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16-6-4-5-7-19(16)22-12-10-21(11-13-22)15-17-8-9-18(23-2)14-20(17)24-3/h8-9,14,16,19H,4-7,10-13,15H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine?
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine has a molecular weight of 332.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine is sourced from PubChem (CID 23791064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).