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

C15H26N4O2 — CID 83011011

IUPAC1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H26N4O2/c1-18-6-8-19(9-7-18)17-13(11-16)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,17H,6-9,11,16H2,1-3H3
InChIKeyPFTLMEKXFRCGSQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.46
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83011011) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83011011
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NN2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H26N4O2/c1-18-6-8-19(9-7-18)17-13(11-16)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,17H,6-9,11,16H2,1-3H3
InChIKeyPFTLMEKXFRCGSQ-UHFFFAOYSA-N
XLogP0.46
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83012185
1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
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
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 83979728
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83011011) is 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is COc1ccc(C(CN)NN2CCN(C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is PFTLMEKXFRCGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18-6-8-19(9-7-18)17-13(11-16)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,17H,6-9,11,16H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).