1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine

C20H33N3O2 — CID 112539814

IUPAC1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
SMILESCOc1ccc(C(CN2CCCCC2)N2CCNCC2C)c(OC)c1
InChIInChI=1S/C20H33N3O2/c1-16-14-21-9-12-23(16)19(15-22-10-5-4-6-11-22)18-8-7-17(24-2)13-20(18)25-3/h7-8,13,16,19,21H,4-6,9-12,14-15H2,1-3H3
InChIKeyWPCHWQCUSFSNDQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.52
Rot. Bonds6

About 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine

1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine (PubChem CID 112539814) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
PubChem CID112539814
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
SMILESCOc1ccc(C(CN2CCCCC2)N2CCNCC2C)c(OC)c1
InChIInChI=1S/C20H33N3O2/c1-16-14-21-9-12-23(16)19(15-22-10-5-4-6-11-22)18-8-7-17(24-2)13-20(18)25-3/h7-8,13,16,19,21H,4-6,9-12,14-15H2,1-3H3
InChIKeyWPCHWQCUSFSNDQ-UHFFFAOYSA-N
XLogP2.52
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 112539822
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
CID 83978094
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-[1-(2-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-ethylpiperazine
CID 83979124
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
(3S)-3-(2,4-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305890
1-(2,4-dimethoxyphenyl)-2-methyl-1,4-diazepane
CID 82297543

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine (CID 112539814) is 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine is COc1ccc(C(CN2CCCCC2)N2CCNCC2C)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine?
The InChIKey is WPCHWQCUSFSNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-14-21-9-12-23(16)19(15-22-10-5-4-6-11-22)18-8-7-17(24-2)13-20(18)25-3/h7-8,13,16,19,21H,4-6,9-12,14-15H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine?
1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine has a molecular weight of 347.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine is sourced from PubChem (CID 112539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).