(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone

C17H26N2O — CID 62083998

IUPAC(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
SMILESCC(C)(C)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-11-19(12-10-14)16(20)15(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1
InChIKeyUDACADOBFPIHPI-OAHLLOKOSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds2

About (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone

(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone (PubChem CID 62083998) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
PubChem CID62083998
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
SMILESCC(C)(C)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-9-11-19(12-10-14)16(20)15(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1
InChIKeyUDACADOBFPIHPI-OAHLLOKOSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
2-amino-1-(4-tert-butylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 115290579
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-N-methylacetamide
CID 119306958
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone (CID 62083998) is (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone is CC(C)(C)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is UDACADOBFPIHPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-9-11-19(12-10-14)16(20)15(18)13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone?
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 274.41 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 62083998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).