1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine

C31H33NO4 — CID 139884839

IUPAC1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
SMILESCOc1cccc(-c2ccc3cc(OCOc4ccc(OCCN5CCCCC5)cc4)ccc3c2)c1
InChIInChI=1S/C31H33NO4/c1-33-30-7-5-6-24(21-30)25-8-9-27-22-31(11-10-26(27)20-25)36-23-35-29-14-12-28(13-15-29)34-19-18-32-16-3-2-4-17-32/h5-15,20-22H,2-4,16-19,23H2,1H3
InChIKeyMWHOVLNNRIZLIX-UHFFFAOYSA-N
MW483.61 g/mol
LogP6.80
Rot. Bonds10

About 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine

1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine (PubChem CID 139884839) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
PubChem CID139884839
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
SMILESCOc1cccc(-c2ccc3cc(OCOc4ccc(OCCN5CCCCC5)cc4)ccc3c2)c1
InChIInChI=1S/C31H33NO4/c1-33-30-7-5-6-24(21-30)25-8-9-27-22-31(11-10-26(27)20-25)36-23-35-29-14-12-28(13-15-29)34-19-18-32-16-3-2-4-17-32/h5-15,20-22H,2-4,16-19,23H2,1H3
InChIKeyMWHOVLNNRIZLIX-UHFFFAOYSA-N
XLogP6.80
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
5-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59589851
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine (CID 139884839) is 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine is COc1cccc(-c2ccc3cc(OCOc4ccc(OCCN5CCCCC5)cc4)ccc3c2)c1.
What is the InChIKey of 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine?
The InChIKey is MWHOVLNNRIZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c1-33-30-7-5-6-24(21-30)25-8-9-27-22-31(11-10-26(27)20-25)36-23-35-29-14-12-28(13-15-29)34-19-18-32-16-3-2-4-17-32/h5-15,20-22H,2-4,16-19,23H2,1H3.
What are the key properties of 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine?
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine has a molecular weight of 483.61 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine is sourced from PubChem (CID 139884839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).