1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine

C31H35NO2 — CID 23300067

IUPAC1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCOc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)cc1
InChIInChI=1S/C31H35NO2/c1-33-27-16-11-26(12-17-27)30-18-13-25-7-3-4-8-29(25)31(30)23-24-9-14-28(15-10-24)34-22-21-32-19-5-2-6-20-32/h3-4,7-12,14-17H,2,5-6,13,18-23H2,1H3
InChIKeyXITPUHJIJZKZQW-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.66
Rot. Bonds8

About 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine

1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine (PubChem CID 23300067) has the molecular formula C31H35NO2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
PubChem CID23300067
Molecular FormulaC31H35NO2
Molecular Weight453.63 g/mol
Exact Mass453.27
IUPAC Name1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCOc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)cc1
InChIInChI=1S/C31H35NO2/c1-33-27-16-11-26(12-17-27)30-18-13-25-7-3-4-8-29(25)31(30)23-24-9-14-28(15-10-24)34-22-21-32-19-5-2-6-20-32/h3-4,7-12,14-17H,2,5-6,13,18-23H2,1H3
InChIKeyXITPUHJIJZKZQW-UHFFFAOYSA-N
XLogP6.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
CID 67842525
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 142632919
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
1-[2-[[(2E)-2-(bromomethylidene)-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]oxy]ethyl]piperidine
CID 59770088
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
2-[4-[2-(azepan-1-yl)ethoxy]phenyl]isoindole-1,3-dione
CID 168516681
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine (CID 23300067) is 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine is COc1ccc(C2=C(Cc3ccc(OCCN4CCCCC4)cc3)c3ccccc3CC2)cc1.
What is the InChIKey of 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The InChIKey is XITPUHJIJZKZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO2/c1-33-27-16-11-26(12-17-27)30-18-13-25-7-3-4-8-29(25)31(30)23-24-9-14-28(15-10-24)34-22-21-32-19-5-2-6-20-32/h3-4,7-12,14-17H,2,5-6,13,18-23H2,1H3.
What are the key properties of 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine has a molecular weight of 453.63 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 23300067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).