2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one

C15H22N2O3 — CID 103201252

IUPAC2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-8-4-3-5-9-17)20-12-6-7-14(19-2)13(16)10-12/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyFFPDXZGOWOJEOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one

2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 103201252) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID103201252
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-8-4-3-5-9-17)20-12-6-7-14(19-2)13(16)10-12/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeyFFPDXZGOWOJEOO-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
methyl N-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522624
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one (CID 103201252) is 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one is COc1ccc(OC(C)C(=O)N2CCCCC2)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is FFPDXZGOWOJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(18)17-8-4-3-5-9-17)20-12-6-7-14(19-2)13(16)10-12/h6-7,10-11H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one?
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 103201252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).