1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol

C28H29NO2 — CID 166589863

IUPAC1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESCN1CCC(COc2ccc3ccccc3c2Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C28H29NO2/c1-29-16-14-20(15-17-29)19-31-28-13-11-22-7-3-5-9-24(22)26(28)18-25-23-8-4-2-6-21(23)10-12-27(25)30/h2-13,20,30H,14-19H2,1H3
InChIKeyBMKGDJBIEFDCEC-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.01
Rot. Bonds5

About 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol

1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol (PubChem CID 166589863) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
PubChem CID166589863
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESCN1CCC(COc2ccc3ccccc3c2Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C28H29NO2/c1-29-16-14-20(15-17-29)19-31-28-13-11-22-7-3-5-9-24(22)26(28)18-25-23-8-4-2-6-21(23)10-12-27(25)30/h2-13,20,30H,14-19H2,1H3
InChIKeyBMKGDJBIEFDCEC-UHFFFAOYSA-N
XLogP6.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
CID 166589878
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
CID 43373408
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589889
2-[[2-(cyclohexylmethoxy)naphthalen-1-yl]methyl]-1-methylpiperidin-4-amine
CID 175568036
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 63263425
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
1-[[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
CID 54578724

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol (CID 166589863) is 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol is CN1CCC(COc2ccc3ccccc3c2Cc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
The InChIKey is BMKGDJBIEFDCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-29-16-14-20(15-17-29)19-31-28-13-11-22-7-3-5-9-24(22)26(28)18-25-23-8-4-2-6-21(23)10-12-27(25)30/h2-13,20,30H,14-19H2,1H3.
What are the key properties of 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol?
1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol has a molecular weight of 411.55 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 166589863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).