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

C31H33NO3 — CID 67542141

IUPAC4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCOCCOc1cccc(-c2cccc(C3CCNCC3OCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C31H33NO3/c1-33-16-17-34-29-11-5-9-27(20-29)26-8-4-10-28(19-26)30-14-15-32-21-31(30)35-22-23-12-13-24-6-2-3-7-25(24)18-23/h2-13,18-20,30-32H,14-17,21-22H2,1H3
InChIKeyQDOAPGSVXFHVHM-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.19
Rot. Bonds9

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

4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 67542141) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID67542141
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Name4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
SMILESCOCCOc1cccc(-c2cccc(C3CCNCC3OCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C31H33NO3/c1-33-16-17-34-29-11-5-9-27(20-29)26-8-4-10-28(19-26)30-14-15-32-21-31(30)35-22-23-12-13-24-6-2-3-7-25(24)18-23/h2-13,18-20,30-32H,14-17,21-22H2,1H3
InChIKeyQDOAPGSVXFHVHM-UHFFFAOYSA-N
XLogP6.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
4-[4-[3-(4-methylphenoxy)propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 140989345
(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382334
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67545240
(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
3-(naphthalen-2-ylmethoxy)-4-[4-[2-(piperidin-4-ylmethoxy)ethoxy]phenyl]piperidine
CID 139787520

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine (CID 67542141) is 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is COCCOc1cccc(-c2cccc(C3CCNCC3OCc3ccc4ccccc4c3)c2)c1.
What is the InChIKey of 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is QDOAPGSVXFHVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c1-33-16-17-34-29-11-5-9-27(20-29)26-8-4-10-28(19-26)30-14-15-32-21-31(30)35-22-23-12-13-24-6-2-3-7-25(24)18-23/h2-13,18-20,30-32H,14-17,21-22H2,1H3.
What are the key properties of 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine?
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 467.61 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 67542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).