1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C16H27N3O — CID 62545528

IUPAC1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCOc1ccccc1C(N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H27N3O/c1-18-10-6-7-13(11-18)19(2)12-15(17)14-8-4-5-9-16(14)20-3/h4-5,8-9,13,15H,6-7,10-12,17H2,1-3H3
InChIKeyDQMMPOCDZGYQMY-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds5

About 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 62545528) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID62545528
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCOc1ccccc1C(N)CN(C)C1CCCN(C)C1
InChIInChI=1S/C16H27N3O/c1-18-10-6-7-13(11-18)19(2)12-15(17)14-8-4-5-9-16(14)20-3/h4-5,8-9,13,15H,6-7,10-12,17H2,1-3H3
InChIKeyDQMMPOCDZGYQMY-UHFFFAOYSA-N
XLogP1.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
1-(2-methoxyphenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79313803
1-(2,5-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545345
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 62545528) is 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is COc1ccccc1C(N)CN(C)C1CCCN(C)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is DQMMPOCDZGYQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-10-6-7-13(11-18)19(2)12-15(17)14-8-4-5-9-16(14)20-3/h4-5,8-9,13,15H,6-7,10-12,17H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 277.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62545528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).