(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone

C18H20N2O — CID 155682211

IUPAC(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O/c19-17-10-4-8-15(12-17)18(21)20-11-5-9-16(13-20)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,19H2/t16-/m0/s1
InChIKeyBYVSELLHBKNYLV-INIZCTEOSA-N
MW280.37 g/mol
LogP3.29
Rot. Bonds2

About (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone

(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone (PubChem CID 155682211) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
PubChem CID155682211
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O/c19-17-10-4-8-15(12-17)18(21)20-11-5-9-16(13-20)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,19H2/t16-/m0/s1
InChIKeyBYVSELLHBKNYLV-INIZCTEOSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
(3-nitrophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608457
(3-aminophenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119837128
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-aminophenyl)methanone;dihydrochloride
CID 119881540
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone (CID 155682211) is (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone is Nc1cccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
The InChIKey is BYVSELLHBKNYLV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O/c19-17-10-4-8-15(12-17)18(21)20-11-5-9-16(13-20)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,19H2/t16-/m0/s1.
What are the key properties of (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone?
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 155682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).