1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone

C16H24N2O2 — CID 60664116

IUPAC1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-4-3-5-16(12-13)20-11-8-17-15-6-9-18(10-7-15)14(2)19/h3-5,12,15,17H,6-11H2,1-2H3
InChIKeyXXTVAVPIAOSVJQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds5

About 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone

1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone (PubChem CID 60664116) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
PubChem CID60664116
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-4-3-5-16(12-13)20-11-8-17-15-6-9-18(10-7-15)14(2)19/h3-5,12,15,17H,6-11H2,1-2H3
InChIKeyXXTVAVPIAOSVJQ-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-[4-[2-(3-methylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 55062758
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone (CID 60664116) is 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCOc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is XXTVAVPIAOSVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-4-3-5-16(12-13)20-11-8-17-15-6-9-18(10-7-15)14(2)19/h3-5,12,15,17H,6-11H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 60664116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).