1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine

C34H37NO3 — CID 58691217

IUPAC1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(CC4CC4)cc3)ccc2c1
InChIInChI=1S/C34H37NO3/c1-36-31-16-18-33-28(24-31)11-17-32(27-9-7-26(8-10-27)23-25-5-6-25)34(33)38-30-14-12-29(13-15-30)37-22-21-35-19-3-2-4-20-35/h7-18,24-25H,2-6,19-23H2,1H3
InChIKeyBXUOCSSDBAVODV-UHFFFAOYSA-N
MW507.67 g/mol
LogP8.12
Rot. Bonds10

About 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine

1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine (PubChem CID 58691217) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
PubChem CID58691217
Molecular FormulaC34H37NO3
Molecular Weight507.67 g/mol
Exact Mass507.28
IUPAC Name1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
SMILESCOc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(CC4CC4)cc3)ccc2c1
InChIInChI=1S/C34H37NO3/c1-36-31-16-18-33-28(24-31)11-17-32(27-9-7-26(8-10-27)23-25-5-6-25)34(33)38-30-14-12-29(13-15-30)37-22-21-35-19-3-2-4-20-35/h7-18,24-25H,2-6,19-23H2,1H3
InChIKeyBXUOCSSDBAVODV-UHFFFAOYSA-N
XLogP8.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.67
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-1,3-dihydro-2-benzothiophene 2,2-dioxide
CID 59751453
3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzonitrile
CID 69436639
5-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-3H-2-benzofuran-1-one
CID 69440011
1-[2-[4-[2-(2,6-difluorophenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 11340786
1-[2-[4-[6-methoxy-2-(3-methylthiophen-2-yl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58338581
1-[2-[4-[6-methoxy-2-(2-methyl-4-methylsulfanylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68515082
4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]thiophene-3-carbonitrile
CID 58338572
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
2,3-dichloro-4-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzenesulfinate
CID 71192481
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine (CID 58691217) is 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine is COc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(CC4CC4)cc3)ccc2c1.
What is the InChIKey of 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
The InChIKey is BXUOCSSDBAVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3/c1-36-31-16-18-33-28(24-31)11-17-32(27-9-7-26(8-10-27)23-25-5-6-25)34(33)38-30-14-12-29(13-15-30)37-22-21-35-19-3-2-4-20-35/h7-18,24-25H,2-6,19-23H2,1H3.
What are the key properties of 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine?
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine has a molecular weight of 507.67 g/mol, XLogP of 8.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine is sourced from PubChem (CID 58691217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).