1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

C15H26N4O — CID 83012185

IUPAC1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NN2CCN(C)CC2)cc1C
InChIInChI=1S/C15H26N4O/c1-12-10-13(4-5-15(12)20-3)14(11-16)17-19-8-6-18(2)7-9-19/h4-5,10,14,17H,6-9,11,16H2,1-3H3
InChIKeyGHMQUXJVOHCXRV-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.76
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83012185) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83012185
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NN2CCN(C)CC2)cc1C
InChIInChI=1S/C15H26N4O/c1-12-10-13(4-5-15(12)20-3)14(11-16)17-19-8-6-18(2)7-9-19/h4-5,10,14,17H,6-9,11,16H2,1-3H3
InChIKeyGHMQUXJVOHCXRV-UHFFFAOYSA-N
XLogP0.76
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(4-methoxy-3-methylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986819
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-4-methylpiperazin-1-amine
CID 83010256
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83012185) is 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is COc1ccc(C(CN)NN2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is GHMQUXJVOHCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-10-13(4-5-15(12)20-3)14(11-16)17-19-8-6-18(2)7-9-19/h4-5,10,14,17H,6-9,11,16H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).