1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one

C15H22N2O3 — CID 43212302

IUPAC1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCCC2=O)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-7-12(14(9-11)20-2)13(16)10-17-8-4-3-5-15(17)18/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyLRSILCKFQYPDAA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one

1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one (PubChem CID 43212302) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
PubChem CID43212302
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCCC2=O)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-19-11-6-7-12(14(9-11)20-2)13(16)10-17-8-4-3-5-15(17)18/h6-7,9,13H,3-5,8,10,16H2,1-2H3
InChIKeyLRSILCKFQYPDAA-UHFFFAOYSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212285
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
CID 62881699
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
1-[2-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one (CID 43212302) is 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one is COc1ccc(C(N)CN2CCCCC2=O)c(OC)c1.
What is the InChIKey of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The InChIKey is LRSILCKFQYPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-11-6-7-12(14(9-11)20-2)13(16)10-17-8-4-3-5-15(17)18/h6-7,9,13H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one?
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 43212302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).