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

C16H24N2O2 — CID 23768743

IUPAC1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-13(19)18-11-8-15(9-12-18)17-10-7-14-5-3-4-6-16(14)20-2/h3-6,15,17H,7-12H2,1-2H3
InChIKeyFBBNDFXGPFFITM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

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

1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 23768743) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID23768743
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CCNC1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-13(19)18-11-8-15(9-12-18)17-10-7-14-5-3-4-6-16(14)20-2/h3-6,15,17H,7-12H2,1-2H3
InChIKeyFBBNDFXGPFFITM-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
methyl N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 110822101
N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
CID 50981884
4-[2-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 79762949
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119621899

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone (CID 23768743) is 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone is COc1ccccc1CCNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is FBBNDFXGPFFITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)18-11-8-15(9-12-18)17-10-7-14-5-3-4-6-16(14)20-2/h3-6,15,17H,7-12H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 23768743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).