1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine

C30H35NO — CID 70142379

IUPAC1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
SMILESCCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OC(C)N2CCCCC2)cc1
InChIInChI=1S/C30H35NO/c1-3-26(23-25-13-7-4-8-14-25)30(27-15-9-5-10-16-27)28-17-19-29(20-18-28)32-24(2)31-21-11-6-12-22-31/h4-5,7-10,13-20,24H,3,6,11-12,21-23H2,1-2H3
InChIKeyIOYFCQWELBGZRI-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.35
Rot. Bonds8

About 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine

1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine (PubChem CID 70142379) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
PubChem CID70142379
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
SMILESCCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OC(C)N2CCCCC2)cc1
InChIInChI=1S/C30H35NO/c1-3-26(23-25-13-7-4-8-14-25)30(27-15-9-5-10-16-27)28-17-19-29(20-18-28)32-24(2)31-21-11-6-12-22-31/h4-5,7-10,13-20,24H,3,6,11-12,21-23H2,1-2H3
InChIKeyIOYFCQWELBGZRI-UHFFFAOYSA-N
XLogP7.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine (CID 70142379) is 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine is CCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OC(C)N2CCCCC2)cc1.
What is the InChIKey of 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The InChIKey is IOYFCQWELBGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-3-26(23-25-13-7-4-8-14-25)30(27-15-9-5-10-16-27)28-17-19-29(20-18-28)32-24(2)31-21-11-6-12-22-31/h4-5,7-10,13-20,24H,3,6,11-12,21-23H2,1-2H3.
What are the key properties of 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine has a molecular weight of 425.62 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 70142379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).