N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine

C21H26N2O — CID 90794079

IUPACN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,14,20,22H,8,13,15-17H2,1H3
InChIKeyGIZBXXYTVVYDKH-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.06
Rot. Bonds6

About N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine

N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine (PubChem CID 90794079) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
PubChem CID90794079
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,14,20,22H,8,13,15-17H2,1H3
InChIKeyGIZBXXYTVVYDKH-UHFFFAOYSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine 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

1-Methyl-4-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine
CID 13014694
1-Methyl-4-(5-methylene-5H-dibenzo[a,d]cyclohepten-10-yl)-piperazine
CID 44323851
1-(5-Isopropylidene-5H-dibenzo[a,d]cyclohepten-10-yl)-4-methyl-piperazine
CID 44323876
1-[(2Z)-2-ethylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]-4-methylpiperazine
CID 44323890
H-Avftdnytrlrkqmavkkylnsi LN-NH2
CID 44323894
1-(1-Benzyl-3-methylpiperidin-4-yl)-1-phenylmethanamine
CID 3064195
(E,2R,3S,6S)-N-methoxy-2,6-diphenyl-3-propan-2-ylpiperidin-4-imine
CID 57399720
(E,2R,3S,6S)-3-ethyl-N-methoxy-1-methyl-2,6-diphenylpiperidin-4-imine
CID 57399807
N-benzyl-N-methyl-2-(1-methyl-2-phenylpiperidin-4-yl)ethanamine
CID 171354828
Phencyclidine N-oxide
CID 133904
1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
CID 91262927
[(3R,4R)-1-benzyl-4-(2,5-difluorophenyl)-2-methylpiperidin-3-yl]-oxidoazanium
CID 144285166

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The IUPAC name of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine (CID 90794079) is N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The canonical SMILES for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine is CONC(=CCN1CCCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The InChIKey is GIZBXXYTVVYDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,14,20,22H,8,13,15-17H2,1H3.
What are the key properties of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine has a molecular weight of 322.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 90794079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).