(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone

C18H19ClN2O2 — CID 851820

IUPAC(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)18(23)9-11-21(12-10-18)17(22)15-3-1-2-4-16(15)20/h1-8,23H,9-12,20H2
InChIKeyWZBUFYBYXKAATC-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.05
Rot. Bonds2

About (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone

(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 851820) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID851820
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
SMILESNc1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)18(23)9-11-21(12-10-18)17(22)15-3-1-2-4-16(15)20/h1-8,23H,9-12,20H2
InChIKeyWZBUFYBYXKAATC-UHFFFAOYSA-N
XLogP3.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62937023
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
CID 56762110
(5-bromo-2-pyrrol-1-ylphenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 39334772
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 51053358
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
(2-aminophenyl)-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946209
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone (CID 851820) is (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone is Nc1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is WZBUFYBYXKAATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)18(23)9-11-21(12-10-18)17(22)15-3-1-2-4-16(15)20/h1-8,23H,9-12,20H2.
What are the key properties of (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone?
(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 851820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).