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

C17H26N2O2 — CID 43747615

IUPAC2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)14(2)18-16-8-10-19(11-9-16)17(20)12-21-3/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyJUZDYAVKYCKSPR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds5

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

2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43747615) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43747615
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)14(2)18-16-8-10-19(11-9-16)17(20)12-21-3/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyJUZDYAVKYCKSPR-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
1-[4-[1-(3-bromothiophen-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791438
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone (CID 43747615) is 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NC(C)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is JUZDYAVKYCKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-4-6-15(7-5-13)14(2)18-16-8-10-19(11-9-16)17(20)12-21-3/h4-7,14,16,18H,8-12H2,1-3H3.
What are the key properties of 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[1-(4-methylphenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43747615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).