4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one

C15H23N3O2 — CID 64682601

IUPAC4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CCOc2ccc(CCN)cc2)CC1=O
InChIInChI=1S/C15H23N3O2/c1-17-8-9-18(12-15(17)19)10-11-20-14-4-2-13(3-5-14)6-7-16/h2-5H,6-12,16H2,1H3
InChIKeyPCTYDNDXMGQTRR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.34
Rot. Bonds6

About 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one

4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one (PubChem CID 64682601) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
PubChem CID64682601
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CCOc2ccc(CCN)cc2)CC1=O
InChIInChI=1S/C15H23N3O2/c1-17-8-9-18(12-15(17)19)10-11-20-14-4-2-13(3-5-14)6-7-16/h2-5H,6-12,16H2,1H3
InChIKeyPCTYDNDXMGQTRR-UHFFFAOYSA-N
XLogP0.34
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
4-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695385
4-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1-methylpiperazin-2-one
CID 64695183
2-[4-[2-(3-ethyl-4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 63603160
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
CID 43530849
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 102956585
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one (CID 64682601) is 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one is CN1CCN(CCOc2ccc(CCN)cc2)CC1=O.
What is the InChIKey of 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one?
The InChIKey is PCTYDNDXMGQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17-8-9-18(12-15(17)19)10-11-20-14-4-2-13(3-5-14)6-7-16/h2-5H,6-12,16H2,1H3.
What are the key properties of 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one?
4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-aminoethyl)phenoxy]ethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).