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

C30H35NO — CID 70142376

IUPAC1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
SMILESCCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H35NO/c1-2-26(24-25-12-6-3-7-13-25)30(27-14-8-4-9-15-27)28-16-18-29(19-17-28)32-23-22-31-20-10-5-11-21-31/h3-4,6-9,12-19H,2,5,10-11,20-24H2,1H3
InChIKeyAMHYBQYTCRAKQS-UHFFFAOYSA-N
MW425.62 g/mol
LogP7.01
Rot. Bonds9

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

1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine (PubChem CID 70142376) has the molecular formula C30H35NO and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
PubChem CID70142376
Molecular FormulaC30H35NO
Molecular Weight425.62 g/mol
Exact Mass425.27
IUPAC Name1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
SMILESCCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H35NO/c1-2-26(24-25-12-6-3-7-13-25)30(27-14-8-4-9-15-27)28-16-18-29(19-17-28)32-23-22-31-20-10-5-11-21-31/h3-4,6-9,12-19H,2,5,10-11,20-24H2,1H3
InChIKeyAMHYBQYTCRAKQS-UHFFFAOYSA-N
XLogP7.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
1-[2-[3-[2-ethyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]ethyl]pyrrolidine
CID 132508115
1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142379
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
[4-[(Z)-2-[(2-methoxyphenyl)methyl]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 10187234
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-(4-hydroxyphenyl)-3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-2-en-1-one
CID 67236853

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine (CID 70142376) is 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine is CCC(Cc1ccccc1)=C(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
The InChIKey is AMHYBQYTCRAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO/c1-2-26(24-25-12-6-3-7-13-25)30(27-14-8-4-9-15-27)28-16-18-29(19-17-28)32-23-22-31-20-10-5-11-21-31/h3-4,6-9,12-19H,2,5,10-11,20-24H2,1H3.
What are the key properties of 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine?
1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine has a molecular weight of 425.62 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 70142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).