4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one

C13H18N2O2 — CID 105494538

IUPAC4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1C1CC(CN)CC(=O)N1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)11-6-9(8-14)7-13(16)15-11/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeySEMXYKTYEOGMRT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds3

About 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one

4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one (PubChem CID 105494538) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one
PubChem CID105494538
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one
SMILESCOc1ccccc1C1CC(CN)CC(=O)N1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)11-6-9(8-14)7-13(16)15-11/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeySEMXYKTYEOGMRT-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one
CID 105479086
1-(4-aminobutan-2-yl)-4-(2-methoxyphenyl)imidazolidin-2-one
CID 116978676
[2-(2-methoxyphenyl)piperidin-4-yl]methanol
CID 105477698
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 781607
3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 2869986
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one (CID 105494538) is 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one is COc1ccccc1C1CC(CN)CC(=O)N1.
What is the InChIKey of 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one?
The InChIKey is SEMXYKTYEOGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)11-6-9(8-14)7-13(16)15-11/h2-5,9,11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one?
4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 105494538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).