2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine

C17H27N3O — CID 65482300

IUPAC2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine
SMILESCOc1ccccc1N1CCN(CC2(CCN)CC2)CC1
InChIInChI=1S/C17H27N3O/c1-21-16-5-3-2-4-15(16)20-12-10-19(11-13-20)14-17(6-7-17)8-9-18/h2-5H,6-14,18H2,1H3
InChIKeyDIGXEMQSWBOTET-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.95
Rot. Bonds6

About 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine

2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine (PubChem CID 65482300) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine
PubChem CID65482300
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine
SMILESCOc1ccccc1N1CCN(CC2(CCN)CC2)CC1
InChIInChI=1S/C17H27N3O/c1-21-16-5-3-2-4-15(16)20-12-10-19(11-13-20)14-17(6-7-17)8-9-18/h2-5H,6-14,18H2,1H3
InChIKeyDIGXEMQSWBOTET-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
CID 62261924
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine (CID 65482300) is 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine is COc1ccccc1N1CCN(CC2(CCN)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine?
The InChIKey is DIGXEMQSWBOTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-16-5-3-2-4-15(16)20-12-10-19(11-13-20)14-17(6-7-17)8-9-18/h2-5H,6-14,18H2,1H3.
What are the key properties of 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine?
2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65482300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).