1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine

C21H25FN2O — CID 91262927

IUPAC1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-13,19,23H,5,8,14-16H2,1H3
InChIKeyGAPPEPAYBRBYFH-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine

1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine (PubChem CID 91262927) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
PubChem CID91262927
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine
SMILESCONC(=CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-13,19,23H,5,8,14-16H2,1H3
InChIKeyGAPPEPAYBRBYFH-UHFFFAOYSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine
CID 57398155
N-[(2-fluorophenyl)methyl]-1-methyl-3-phenylpiperidin-4-amine
CID 16667790
1-[4-(4-Fluorophenyl)cyclohexen-1-yl]-4-[(4-fluorophenyl)methyl]piperazine
CID 9951166
1-Benzyl-3-ethyl-4-(4-fluorophenyl)piperidine
CID 20607569
1-[(4-Fluorophenyl)methyl]-2-(1-fluoropropyl)-4-phenylpiperidine
CID 21539190
4-Benzyl-1-[2-(2-fluorophenyl)propyl]piperazine
CID 21830845
N-[2-(4-benzylpiperazin-1-yl)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-pentylcyclohexen-1-amine
CID 57129640
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
1-Benzyl-4-(3-fluorophenyl)piperidin-4-amine
CID 68830271
2-(4-fluorophenyl)-N,N-dimethyl-1,2,3,4,4a,5-hexahydroquinolin-7-amine
CID 69620341
1-(6-fluoro-3-phenyl-3H-inden-1-yl)-4-methylpiperazine
CID 69631965
3-[3-amino-2-(4-fluorophenyl)propyl]-N-benzyl-N-methylpiperidin-4-amine
CID 69859615

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine (CID 91262927) is 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine is CONC(=CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
The InChIKey is GAPPEPAYBRBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-13,19,23H,5,8,14-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine?
1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine has a molecular weight of 340.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 91262927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).