(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

C19H22N2O2 — CID 119697040

IUPAC(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c20-17-8-6-16(7-9-17)19(22)21-12-10-18(11-13-21)23-14-15-4-2-1-3-5-15/h1-9,18H,10-14,20H2
InChIKeyMGFTUZREGLSGIW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds4

About (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone

(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 119697040) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID119697040
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2/c20-17-8-6-16(7-9-17)19(22)21-12-10-18(11-13-21)23-14-15-4-2-1-3-5-15/h1-9,18H,10-14,20H2
InChIKeyMGFTUZREGLSGIW-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 12806999
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 119697040) is (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is MGFTUZREGLSGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-17-8-6-16(7-9-17)19(22)21-12-10-18(11-13-21)23-14-15-4-2-1-3-5-15/h1-9,18H,10-14,20H2.
What are the key properties of (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 119697040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).