(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one

C21H26N2O2 — CID 142479897

IUPAC(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESN[C@H](CO)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O2/c22-20(15-24)21(25)23-12-10-17(11-13-23)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17,20,24H,10-15,22H2/t20-/m1/s1
InChIKeyKNHOJKNZNDTYHM-HXUWFJFHSA-N
MW338.45 g/mol
LogP2.45
Rot. Bonds5

About (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one

(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 142479897) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID142479897
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
SMILESN[C@H](CO)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H26N2O2/c22-20(15-24)21(25)23-12-10-17(11-13-23)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17,20,24H,10-15,22H2/t20-/m1/s1
InChIKeyKNHOJKNZNDTYHM-HXUWFJFHSA-N
XLogP2.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-hydroxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142480196
2-amino-3-hydroxy-1-[4-[[4-(2-phenylethynyl)phenyl]methyl]piperidin-1-yl]propan-1-one
CID 135386796
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one (CID 142479897) is (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one is N[C@H](CO)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is KNHOJKNZNDTYHM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-20(15-24)21(25)23-12-10-17(11-13-23)14-16-6-8-19(9-7-16)18-4-2-1-3-5-18/h1-9,17,20,24H,10-15,22H2/t20-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one?
(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142479897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).