2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone

C14H20N2O2 — CID 54908646

IUPAC2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
SMILESCNc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-12-5-7-13(8-6-12)18-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeyLJVOWBONRWISPD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone

2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone (PubChem CID 54908646) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
PubChem CID54908646
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
SMILESCNc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-12-5-7-13(8-6-12)18-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3
InChIKeyLJVOWBONRWISPD-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
CID 43280073
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone (CID 54908646) is 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone is CNc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is LJVOWBONRWISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-12-5-7-13(8-6-12)18-11-14(17)16-9-3-2-4-10-16/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone?
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 54908646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).