2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone

C14H20N2O2 — CID 61312995

IUPAC2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyNAXIETKTGCAKQO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone

2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 61312995) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
PubChem CID61312995
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyNAXIETKTGCAKQO-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)-4-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 63325592
methyl 3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 43380297
5-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzenesulfonyl chloride
CID 82911716
2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
CID 63323495
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
2-[2-amino-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 82007821
1-[3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
CID 82064250
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone (CID 61312995) is 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone is Cc1ccc(OCC(=O)N2CCCCC2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is NAXIETKTGCAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone?
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 61312995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).