1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine

C33H37NO3 — CID 18182724

IUPAC1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C)c(OC)c3)ccc2c1
InChIInChI=1S/C33H37NO3/c1-24-7-10-27(23-33(24)36-3)30-15-11-26-22-29(35-2)14-16-31(26)32(30)21-25-8-12-28(13-9-25)37-20-19-34-17-5-4-6-18-34/h7-16,22-23H,4-6,17-21H2,1-3H3
InChIKeyLOROYNSFMKAYBC-UHFFFAOYSA-N
MW495.66 g/mol
LogP7.29
Rot. Bonds9

About 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine

1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine (PubChem CID 18182724) has the molecular formula C33H37NO3 and a molecular weight of 495.66 g/mol. Its IUPAC name is 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
PubChem CID18182724
Molecular FormulaC33H37NO3
Molecular Weight495.66 g/mol
Exact Mass495.28
IUPAC Name1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C)c(OC)c3)ccc2c1
InChIInChI=1S/C33H37NO3/c1-24-7-10-27(23-33(24)36-3)30-15-11-26-22-29(35-2)14-16-31(26)32(30)21-25-8-12-28(13-9-25)37-20-19-34-17-5-4-6-18-34/h7-16,22-23H,4-6,17-21H2,1-3H3
InChIKeyLOROYNSFMKAYBC-UHFFFAOYSA-N
XLogP7.29
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine with MolForge

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Related Compounds

6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
1-[3-[4-[[2-(2-ethyl-3-methoxyphenyl)-6-methoxynaphthalen-1-yl]methyl]phenoxy]propyl]piperidine
CID 18182647
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
CID 67842525
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68515082
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine (CID 18182724) is 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine is COc1ccc2c(Cc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(C)c(OC)c3)ccc2c1.
What is the InChIKey of 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
The InChIKey is LOROYNSFMKAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO3/c1-24-7-10-27(23-33(24)36-3)30-15-11-26-22-29(35-2)14-16-31(26)32(30)21-25-8-12-28(13-9-25)37-20-19-34-17-5-4-6-18-34/h7-16,22-23H,4-6,17-21H2,1-3H3.
What are the key properties of 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine?
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine has a molecular weight of 495.66 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 18182724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).