[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate

C24H31NO3 — CID 3075799

IUPAC[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCCCOc2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-8,11-14H,2,9-10,15-20H2,1H3
InChIKeyVTGUHOYQBFEGCP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.79
Rot. Bonds9

About [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate

[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate (PubChem CID 3075799) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
PubChem CID3075799
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCCCOc2ccccc2)CC1
InChIInChI=1S/C24H31NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-8,11-14H,2,9-10,15-20H2,1H3
InChIKeyVTGUHOYQBFEGCP-UHFFFAOYSA-N
XLogP4.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-phenoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
CID 3075794
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
CID 3048607
[1-[(3E)-3-hydroxyimino-3-phenylpropyl]-4-phenylpiperidin-4-yl] propanoate
CID 18656723
(1-butyl-4-pyridin-2-ylpiperidin-4-yl) propanoate
CID 3048605
(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
[1-[2-[2-(methylcarbamoyl)anilino]ethyl]-4-phenylpiperidin-4-yl] propanoate
CID 3050172
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
CID 21125426
(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
CID 24843033
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
CID 21395249
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate?
The IUPAC name of [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate (CID 3075799) is [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate.
What is the SMILES notation for [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate?
The canonical SMILES for [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCCCOc2ccccc2)CC1.
What is the InChIKey of [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate?
The InChIKey is VTGUHOYQBFEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-8,11-14H,2,9-10,15-20H2,1H3.
What are the key properties of [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate?
[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate has a molecular weight of 381.52 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate is sourced from PubChem (CID 3075799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).