4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine

C30H35NO — CID 70142473

IUPAC4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine
SMILESCCC(=C(Cc1ccccc1)c1ccccc1)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C30H35NO/c1-2-29(30(26-11-7-4-8-12-26)23-25-9-5-3-6-10-25)27-13-15-28(16-14-27)32-22-19-24-17-20-31-21-18-24/h3-16,24,31H,2,17-23H2,1H3
InChIKeyLISUBEJDCHNJSC-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.02
Rot. Bonds9

About 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine

4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine (PubChem CID 70142473) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine
PubChem CID70142473
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine
SMILESCCC(=C(Cc1ccccc1)c1ccccc1)c1ccc(OCCC2CCNCC2)cc1
InChIInChI=1S/C30H35NO/c1-2-29(30(26-11-7-4-8-12-26)23-25-9-5-3-6-10-25)27-13-15-28(16-14-27)32-22-19-24-17-20-31-21-18-24/h3-16,24,31H,2,17-23H2,1H3
InChIKeyLISUBEJDCHNJSC-UHFFFAOYSA-N
XLogP7.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
N-methyl-2-[4-[1-(4-methylphenyl)-3-phenylpent-2-en-2-yl]phenoxy]ethanamine
CID 91042186
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
butanedioate;ethane;4-(2-piperidin-4-ylethoxy)benzoate
CID 19748242
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
2-amino-1-[4-(2-piperidin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 170861062
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
4-[2-(2-propylphenoxy)ethyl]piperidine
CID 56830188
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine (CID 70142473) is 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine is CCC(=C(Cc1ccccc1)c1ccccc1)c1ccc(OCCC2CCNCC2)cc1.
What is the InChIKey of 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine?
The InChIKey is LISUBEJDCHNJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-2-29(30(26-11-7-4-8-12-26)23-25-9-5-3-6-10-25)27-13-15-28(16-14-27)32-22-19-24-17-20-31-21-18-24/h3-16,24,31H,2,17-23H2,1H3.
What are the key properties of 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine?
4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine has a molecular weight of 425.62 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,2-diphenylpent-2-en-3-yl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 70142473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).