1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine

C24H31NO2 — CID 69241480

IUPAC1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine
SMILESC=CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H31NO2/c1-2-10-24(27-23-11-5-3-6-12-23)21-13-15-22(16-14-21)26-20-9-19-25-17-7-4-8-18-25/h2-3,5-6,11-16,24H,1,4,7-10,17-20H2
InChIKeyYWUBMWRPMOFFFI-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.64
Rot. Bonds10

About 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine

1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine (PubChem CID 69241480) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine
PubChem CID69241480
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine
SMILESC=CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C24H31NO2/c1-2-10-24(27-23-11-5-3-6-12-23)21-13-15-22(16-14-21)26-20-9-19-25-17-7-4-8-18-25/h2-3,5-6,11-16,24H,1,4,7-10,17-20H2
InChIKeyYWUBMWRPMOFFFI-UHFFFAOYSA-N
XLogP5.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
CID 24948507
1-[2-[4-[2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]but-3-enyl]phenoxy]ethyl]piperidine
CID 24967267
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[2-[4-[phenyl-[phenyl-[4-(2-piperidin-1-ylethoxy)phenoxy]methoxy]methoxy]phenoxy]ethyl]piperidine
CID 21253259
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
N-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 24946498
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine (CID 69241480) is 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine is C=CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine?
The InChIKey is YWUBMWRPMOFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-2-10-24(27-23-11-5-3-6-12-23)21-13-15-22(16-14-21)26-20-9-19-25-17-7-4-8-18-25/h2-3,5-6,11-16,24H,1,4,7-10,17-20H2.
What are the key properties of 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine?
1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine has a molecular weight of 365.52 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-phenoxybut-3-enyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 69241480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).