3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one

C15H22N2O3 — CID 106111809

IUPAC3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-19-14(11-16)15(18)17-9-7-13(8-10-17)20-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyJCYWDNHRRFEYHG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one (PubChem CID 106111809) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
PubChem CID106111809
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-19-14(11-16)15(18)17-9-7-13(8-10-17)20-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyJCYWDNHRRFEYHG-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111138
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
(2S)-2-amino-4-methylsulfanyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 61177928
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
(2R)-2-amino-3-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 154897114
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one (CID 106111809) is 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one is COC(CN)C(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one?
The InChIKey is JCYWDNHRRFEYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14(11-16)15(18)17-9-7-13(8-10-17)20-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3.
What are the key properties of 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 106111809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).