1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine

C25H33FN2O — CID 173415993

IUPAC1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
SMILESFc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1
InChIInChI=1S/C25H33FN2O/c26-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)27-29-21-9-20-28-18-7-2-8-19-28/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2
InChIKeyKCTZLZANGNAMCZ-UHFFFAOYSA-N
MW396.55 g/mol
LogP5.84
Rot. Bonds11

About 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine

1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine (PubChem CID 173415993) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
PubChem CID173415993
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
SMILESFc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1
InChIInChI=1S/C25H33FN2O/c26-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)27-29-21-9-20-28-18-7-2-8-19-28/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2
InChIKeyKCTZLZANGNAMCZ-UHFFFAOYSA-N
XLogP5.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1-[4-(4-fluorophenyl)-7-phenylhept-4-enyl]piperidine
CID 70533722
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
N-[1-phenyl-5-[2-(3-pyrrolidin-1-ylpropyl)phenyl]pentylidene]hydroxylamine
CID 88690191
(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
CID 18993354
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67298873
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1-[4-(4-fluorophenoxy)phenyl]-6-piperidin-1-ylhexan-1-one;hydrochloride
CID 70071282
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine (CID 173415993) is 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine is Fc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine?
The InChIKey is KCTZLZANGNAMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c26-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)27-29-21-9-20-28-18-7-2-8-19-28/h1,3-4,10-11,14-17H,2,5-9,12-13,18-21H2.
What are the key properties of 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine?
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine has a molecular weight of 396.55 g/mol, XLogP of 5.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine is sourced from PubChem (CID 173415993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).