(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride

C18H21ClN2O2 — CID 119725091

IUPAC(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O2.ClH/c19-15-8-6-14(7-9-15)18(21)20-12-10-17(11-13-20)22-16-4-2-1-3-5-16;/h1-9,17H,10-13,19H2;1H
InChIKeyZWGQXHMNBNYAMC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.37
Rot. Bonds3

About (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride

(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119725091) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119725091
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O2.ClH/c19-15-8-6-14(7-9-15)18(21)20-12-10-17(11-13-20)22-16-4-2-1-3-5-16;/h1-9,17H,10-13,19H2;1H
InChIKeyZWGQXHMNBNYAMC-UHFFFAOYSA-N
XLogP3.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride (CID 119725091) is (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is ZWGQXHMNBNYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c19-15-8-6-14(7-9-15)18(21)20-12-10-17(11-13-20)22-16-4-2-1-3-5-16;/h1-9,17H,10-13,19H2;1H.
What are the key properties of (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119725091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).