1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine

C32H35NO2 — CID 70015592

IUPAC1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
SMILESCOc1ccc(-c2ccc3ccccc3c2Oc2ccc(CCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO2/c1-34-28-19-14-27(15-20-28)31-21-16-26-10-3-4-11-30(26)32(31)35-29-17-12-25(13-18-29)9-5-8-24-33-22-6-2-7-23-33/h3-4,10-21H,2,5-9,22-24H2,1H3
InChIKeyWHBZUQRIVAWQMF-UHFFFAOYSA-N
MW465.64 g/mol
LogP8.12
Rot. Bonds9

About 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine

1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine (PubChem CID 70015592) has the molecular formula C32H35NO2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine.

Molecular Properties

Compound Name1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
PubChem CID70015592
Molecular FormulaC32H35NO2
Molecular Weight465.64 g/mol
Exact Mass465.27
IUPAC Name1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine
SMILESCOc1ccc(-c2ccc3ccccc3c2Oc2ccc(CCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO2/c1-34-28-19-14-27(15-20-28)31-21-16-26-10-3-4-11-30(26)32(31)35-29-17-12-25(13-18-29)9-5-8-24-33-22-6-2-7-23-33/h3-4,10-21H,2,5-9,22-24H2,1H3
InChIKeyWHBZUQRIVAWQMF-UHFFFAOYSA-N
XLogP8.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
butyl 3-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]propanoate
CID 70018001
1-[2-[4-[2-(4-propylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 141081395
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
2-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-N-(2-piperidin-1-ylethyl)aniline;hydrochloride
CID 67574232
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one
CID 69440011
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine?
The IUPAC name of 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine (CID 70015592) is 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine.
What is the SMILES notation for 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine?
The canonical SMILES for 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine is COc1ccc(-c2ccc3ccccc3c2Oc2ccc(CCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine?
The InChIKey is WHBZUQRIVAWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO2/c1-34-28-19-14-27(15-20-28)31-21-16-26-10-3-4-11-30(26)32(31)35-29-17-12-25(13-18-29)9-5-8-24-33-22-6-2-7-23-33/h3-4,10-21H,2,5-9,22-24H2,1H3.
What are the key properties of 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine?
1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine has a molecular weight of 465.64 g/mol, XLogP of 8.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(4-methoxyphenyl)naphthalen-1-yl]oxyphenyl]butyl]piperidine is sourced from PubChem (CID 70015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).