4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol

C25H34N2O2 — CID 173415956

IUPAC4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
SMILESOc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1
InChIInChI=1S/C25H34N2O2/c28-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)26-29-21-9-20-27-18-7-2-8-19-27/h1,3-4,10-11,14-17,28H,2,5-9,12-13,18-21H2
InChIKeyWCKSRKUZECHEOE-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.40
Rot. Bonds11

About 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol

4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol (PubChem CID 173415956) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
PubChem CID173415956
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
SMILESOc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1
InChIInChI=1S/C25H34N2O2/c28-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)26-29-21-9-20-27-18-7-2-8-19-27/h1,3-4,10-11,14-17,28H,2,5-9,12-13,18-21H2
InChIKeyWCKSRKUZECHEOE-UHFFFAOYSA-N
XLogP5.40
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
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
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276

Frequently Asked Questions

What is the IUPAC name of 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol?
The IUPAC name of 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol (CID 173415956) is 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol is Oc1ccc(C(CCCCc2ccccc2)=NOCCCN2CCCCC2)cc1.
What is the InChIKey of 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol?
The InChIKey is WCKSRKUZECHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c28-24-16-14-23(15-17-24)25(13-6-5-12-22-10-3-1-4-11-22)26-29-21-9-20-27-18-7-2-8-19-27/h1,3-4,10-11,14-17,28H,2,5-9,12-13,18-21H2.
What are the key properties of 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol?
4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol has a molecular weight of 394.56 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol is sourced from PubChem (CID 173415956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).