4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine

C31H35NO3 — CID 166589878

IUPAC4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
SMILESCCOCOc1ccc2ccccc2c1Cc1c(OCC2CCN(C)CC2)ccc2ccccc12
InChIInChI=1S/C31H35NO3/c1-3-33-22-35-31-15-13-25-9-5-7-11-27(25)29(31)20-28-26-10-6-4-8-24(26)12-14-30(28)34-21-23-16-18-32(2)19-17-23/h4-15,23H,3,16-22H2,1-2H3
InChIKeyQWLAFCPERILUAR-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.68
Rot. Bonds9

About 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine

4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine (PubChem CID 166589878) has the molecular formula C31H35NO3 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
PubChem CID166589878
Molecular FormulaC31H35NO3
Molecular Weight469.63 g/mol
Exact Mass469.26
IUPAC Name4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
SMILESCCOCOc1ccc2ccccc2c1Cc1c(OCC2CCN(C)CC2)ccc2ccccc12
InChIInChI=1S/C31H35NO3/c1-3-33-22-35-31-15-13-25-9-5-7-11-27(25)29(31)20-28-26-10-6-4-8-24(26)12-14-30(28)34-21-23-16-18-32(2)19-17-23/h4-15,23H,3,16-22H2,1-2H3
InChIKeyQWLAFCPERILUAR-UHFFFAOYSA-N
XLogP6.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
2-[[2-(cyclohexylmethoxy)naphthalen-1-yl]methyl]-1-methylpiperidin-4-amine
CID 175568036
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
1-benzyl-2-ethoxynaphthalene
CID 12064074
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
N,N'-bis[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531762
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
2-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 70217208

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine?
The IUPAC name of 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine (CID 166589878) is 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine?
The canonical SMILES for 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine is CCOCOc1ccc2ccccc2c1Cc1c(OCC2CCN(C)CC2)ccc2ccccc12.
What is the InChIKey of 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine?
The InChIKey is QWLAFCPERILUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35NO3/c1-3-33-22-35-31-15-13-25-9-5-7-11-27(25)29(31)20-28-26-10-6-4-8-24(26)12-14-30(28)34-21-23-16-18-32(2)19-17-23/h4-15,23H,3,16-22H2,1-2H3.
What are the key properties of 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine?
4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine has a molecular weight of 469.63 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine is sourced from PubChem (CID 166589878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).