3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine

C30H31NO3 — CID 22128513

IUPAC3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
SMILESCOc1ccccc1COC1CNCCC1c1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H31NO3/c1-32-29-9-5-4-8-26(29)21-34-30-19-31-17-16-28(30)24-12-14-27(15-13-24)33-20-22-10-11-23-6-2-3-7-25(23)18-22/h2-15,18,28,30-31H,16-17,19-21H2,1H3
InChIKeyNVXFOZOAYQPALW-UHFFFAOYSA-N
MW453.58 g/mol
LogP6.09
Rot. Bonds8

About 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine

3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine (PubChem CID 22128513) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
PubChem CID22128513
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine
SMILESCOc1ccccc1COC1CNCCC1c1ccc(OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H31NO3/c1-32-29-9-5-4-8-26(29)21-34-30-19-31-17-16-28(30)24-12-14-27(15-13-24)33-20-22-10-11-23-6-2-3-7-25(23)18-22/h2-15,18,28,30-31H,16-17,19-21H2,1H3
InChIKeyNVXFOZOAYQPALW-UHFFFAOYSA-N
XLogP6.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
CID 142663964
3-(naphthalen-2-ylmethoxy)-4-[4-[3-[(2-propoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 22127952
2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 70126616
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
(3R,4R)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 10483146
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304
4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3,5-bis(naphthalen-2-ylmethoxy)piperidine
CID 22127629
3-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]-1-methylpiperazine
CID 142639846
4-(4-fluorophenyl)-3-[(8-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126755
3-[[4-ethyl-3-(3-methoxypropoxy)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine
CID 68504096
2-[2-[4-[3-[(2-methoxyphenyl)methoxy]piperidin-4-yl]phenoxy]ethyl]benzoic acid
CID 54537420

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine?
The IUPAC name of 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine (CID 22128513) is 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine?
The canonical SMILES for 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine is COc1ccccc1COC1CNCCC1c1ccc(OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine?
The InChIKey is NVXFOZOAYQPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c1-32-29-9-5-4-8-26(29)21-34-30-19-31-17-16-28(30)24-12-14-27(15-13-24)33-20-22-10-11-23-6-2-3-7-25(23)18-22/h2-15,18,28,30-31H,16-17,19-21H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine?
3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine has a molecular weight of 453.58 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methoxy]-4-[4-(naphthalen-2-ylmethoxy)phenyl]piperidine is sourced from PubChem (CID 22128513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).