4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one

C17H26N2O2 — CID 120592294

IUPAC4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCCCC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-5-3-4-10-19(16)17(20)11-15(12-18)21-2/h6-9,15-16H,3-5,10-12,18H2,1-2H3
InChIKeyFRUINKMBLWJBJT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds5

About 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one

4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one (PubChem CID 120592294) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
PubChem CID120592294
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCCCC1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-5-3-4-10-19(16)17(20)11-15(12-18)21-2/h6-9,15-16H,3-5,10-12,18H2,1-2H3
InChIKeyFRUINKMBLWJBJT-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120592293
(3S)-4-amino-1-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 125120184
4-amino-3-methoxy-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 120592694
4-amino-3-methoxy-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120597000
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
4-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120593188
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943
4-amino-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120587380
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
4-amino-3-methoxy-1-(3-phenylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 120588087

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one (CID 120592294) is 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one is COC(CN)CC(=O)N1CCCCC1c1ccc(C)cc1.
What is the InChIKey of 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is FRUINKMBLWJBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)16-5-3-4-10-19(16)17(20)11-15(12-18)21-2/h6-9,15-16H,3-5,10-12,18H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one?
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).