2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine

C31H33NO4 — CID 69110587

IUPAC2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(OC(C)C3CCCCN3)cc2)c1
InChIInChI=1S/C31H33NO4/c1-21(30-9-4-5-18-32-30)35-24-11-13-25(14-12-24)36-31-28(22-7-6-8-26(19-22)33-2)16-10-23-20-27(34-3)15-17-29(23)31/h6-8,10-17,19-21,30,32H,4-5,9,18H2,1-3H3
InChIKeyYLBAXQZJTSZVHI-UHFFFAOYSA-N
MW483.61 g/mol
LogP7.23
Rot. Bonds8

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

2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (PubChem CID 69110587) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
PubChem CID69110587
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(OC(C)C3CCCCN3)cc2)c1
InChIInChI=1S/C31H33NO4/c1-21(30-9-4-5-18-32-30)35-24-11-13-25(14-12-24)36-31-28(22-7-6-8-26(19-22)33-2)16-10-23-20-27(34-3)15-17-29(23)31/h6-8,10-17,19-21,30,32H,4-5,9,18H2,1-3H3
InChIKeyYLBAXQZJTSZVHI-UHFFFAOYSA-N
XLogP7.23
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70015260
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
CID 91008575
ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017459
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
propyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018033
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
1-methoxy-4-phenoxybenzene;2-methylpiperidine
CID 143435374
2-[4-[2-(3-chlorophenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]prop-2-enoic acid
CID 67602790
3-[4-[2-(3-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 70014460

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The IUPAC name of 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine (CID 69110587) is 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine.
What is the SMILES notation for 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The canonical SMILES for 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is COc1cccc(-c2ccc3cc(OC)ccc3c2Oc2ccc(OC(C)C3CCCCN3)cc2)c1.
What is the InChIKey of 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The InChIKey is YLBAXQZJTSZVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c1-21(30-9-4-5-18-32-30)35-24-11-13-25(14-12-24)36-31-28(22-7-6-8-26(19-22)33-2)16-10-23-20-27(34-3)15-17-29(23)31/h6-8,10-17,19-21,30,32H,4-5,9,18H2,1-3H3.
What are the key properties of 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine has a molecular weight of 483.61 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine is sourced from PubChem (CID 69110587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).