1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine

C20H33N3O — CID 83978094

IUPAC1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
SMILESCOc1cccc(C(CN2CCCC(C)C2)N2CCNCC2C)c1
InChIInChI=1S/C20H33N3O/c1-16-6-5-10-22(14-16)15-20(23-11-9-21-13-17(23)2)18-7-4-8-19(12-18)24-3/h4,7-8,12,16-17,20-21H,5-6,9-11,13-15H2,1-3H3
InChIKeyXOLBPLYXIXASGW-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine

1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine (PubChem CID 83978094) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
PubChem CID83978094
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine
SMILESCOc1cccc(C(CN2CCCC(C)C2)N2CCNCC2C)c1
InChIInChI=1S/C20H33N3O/c1-16-6-5-10-22(14-16)15-20(23-11-9-21-13-17(23)2)18-7-4-8-19(12-18)24-3/h4,7-8,12,16-17,20-21H,5-6,9-11,13-15H2,1-3H3
InChIKeyXOLBPLYXIXASGW-UHFFFAOYSA-N
XLogP2.76
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(3-methylpiperidin-1-yl)-1-pyridin-3-ylethyl]piperazine
CID 83978966
1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
CID 112539814
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
1-(3-methoxyphenyl)-2-[(2S)-2-methylpiperazin-1-yl]ethanol
CID 82755808
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
2-(3-methoxyphenyl)-N,N-dimethyl-2-(2-methylpiperazin-1-yl)acetamide
CID 83978037
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
1-[(3-methoxyphenyl)methyl]-3-methyl-1,5-diazocane
CID 54980333
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-N,N-dipropylacetamide
CID 112539363
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine?
The IUPAC name of 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine (CID 83978094) is 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine is COc1cccc(C(CN2CCCC(C)C2)N2CCNCC2C)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine?
The InChIKey is XOLBPLYXIXASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-16-6-5-10-22(14-16)15-20(23-11-9-21-13-17(23)2)18-7-4-8-19(12-18)24-3/h4,7-8,12,16-17,20-21H,5-6,9-11,13-15H2,1-3H3.
What are the key properties of 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine?
1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine has a molecular weight of 331.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 83978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).