[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

C32H35NO4 — CID 10207050

IUPAC[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2C(O)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-17,22,32,34H,3-5,18-21H2,1-2H3
InChIKeyDLUDZWMJYBCTAG-UHFFFAOYSA-N
MW497.64 g/mol
LogP6.47
Rot. Bonds9

About [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol

[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (PubChem CID 10207050) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
PubChem CID10207050
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Name[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2C(O)c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H35NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-17,22,32,34H,3-5,18-21H2,1-2H3
InChIKeyDLUDZWMJYBCTAG-UHFFFAOYSA-N
XLogP6.47
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methoxy-2-(2-phenylmethoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 140514001
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
CID 12051557
5-[hydroxy-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-6-(2,4,6-trifluorophenyl)naphthalen-2-ol;hydrochloride
CID 67004190
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
[2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 18182621
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
3-[[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]propanenitrile
CID 12051560
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride
CID 67582475

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The IUPAC name of [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol (CID 10207050) is [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol.
What is the SMILES notation for [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The canonical SMILES for [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is COc1ccc(-c2ccc3cc(OC)ccc3c2C(O)c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
The InChIKey is DLUDZWMJYBCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c1-35-26-11-6-23(7-12-26)29-16-10-25-22-28(36-2)15-17-30(25)31(29)32(34)24-8-13-27(14-9-24)37-21-20-33-18-4-3-5-19-33/h6-17,22,32,34H,3-5,18-21H2,1-2H3.
What are the key properties of [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol?
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol has a molecular weight of 497.64 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol is sourced from PubChem (CID 10207050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).