(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one

C16H24N2O2 — CID 79013212

IUPAC(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)20-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m1/s1
InChIKeySBHJRBUCYDHPCE-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one

(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one (PubChem CID 79013212) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
PubChem CID79013212
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)20-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m1/s1
InChIKeySBHJRBUCYDHPCE-OAHLLOKOSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
3-amino-2-methoxy-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 106111809
(2S)-2-amino-4-methylsulfanyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 61177928
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2S)-2-amino-1-[4-(4-fluoro-2-methylphenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 67530608
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one (CID 79013212) is (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one is CC(C)[C@@H](N)C(=O)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one?
The InChIKey is SBHJRBUCYDHPCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)15(17)16(19)18-10-8-14(9-11-18)20-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one?
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 79013212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).