1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine

C19H32N4O2 — CID 112539500

IUPAC1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
SMILESCOc1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H32N4O2/c1-21-10-12-22(13-11-21)15-17(23-8-6-20-7-9-23)16-4-5-18(24-2)19(14-16)25-3/h4-5,14,17,20H,6-13,15H2,1-3H3
InChIKeyPORWBFWOQYCIPY-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine

1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine (PubChem CID 112539500) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
PubChem CID112539500
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
SMILESCOc1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1OC
InChIInChI=1S/C19H32N4O2/c1-21-10-12-22(13-11-21)15-17(23-8-6-20-7-9-23)16-4-5-18(24-2)19(14-16)25-3/h4-5,14,17,20H,6-13,15H2,1-3H3
InChIKeyPORWBFWOQYCIPY-UHFFFAOYSA-N
XLogP0.90
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]piperazine
CID 83978283
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
1-methyl-4-[2-piperazin-1-yl-2-(4-propan-2-ylphenyl)ethyl]piperazine
CID 83978752
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 112540179
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine (CID 112539500) is 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine is COc1ccc(C(CN2CCN(C)CC2)N2CCNCC2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
The InChIKey is PORWBFWOQYCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-21-10-12-22(13-11-21)15-17(23-8-6-20-7-9-23)16-4-5-18(24-2)19(14-16)25-3/h4-5,14,17,20H,6-13,15H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine?
1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine has a molecular weight of 348.49 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine is sourced from PubChem (CID 112539500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).