4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

C20H26N2O2 — CID 21393731

IUPAC4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESc1ccc2c(CN3CCOCC3)c(CN3CCOCC3)ccc2c1
InChIInChI=1S/C20H26N2O2/c1-2-4-19-17(3-1)5-6-18(15-21-7-11-23-12-8-21)20(19)16-22-9-13-24-14-10-22/h1-6H,7-16H2
InChIKeyHLBBZTZALZSNIP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.50
Rot. Bonds4

About 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (PubChem CID 21393731) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
PubChem CID21393731
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESc1ccc2c(CN3CCOCC3)c(CN3CCOCC3)ccc2c1
InChIInChI=1S/C20H26N2O2/c1-2-4-19-17(3-1)5-6-18(15-21-7-11-23-12-8-21)20(19)16-22-9-13-24-14-10-22/h1-6H,7-16H2
InChIKeyHLBBZTZALZSNIP-UHFFFAOYSA-N
XLogP2.50
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (CID 21393731) is 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is c1ccc2c(CN3CCOCC3)c(CN3CCOCC3)ccc2c1.
What is the InChIKey of 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The InChIKey is HLBBZTZALZSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-4-19-17(3-1)5-6-18(15-21-7-11-23-12-8-21)20(19)16-22-9-13-24-14-10-22/h1-6H,7-16H2.
What are the key properties of 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine has a molecular weight of 326.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 21393731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).