4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride

C20H28Cl2N2O2 — CID 21393703

IUPAC4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H26N2O2.2ClH/c1-2-4-18-14-20(16-22-7-11-24-12-8-22)19(13-17(18)3-1)15-21-5-9-23-10-6-21;;/h1-4,13-14H,5-12,15-16H2;2*1H
InChIKeyCXNJUWWRWZDVAY-UHFFFAOYSA-N
MW399.36 g/mol
LogP3.35
Rot. Bonds4

About 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride

4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride (PubChem CID 21393703) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride
PubChem CID21393703
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC Name4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H26N2O2.2ClH/c1-2-4-18-14-20(16-22-7-11-24-12-8-22)19(13-17(18)3-1)15-21-5-9-23-10-6-21;;/h1-4,13-14H,5-12,15-16H2;2*1H
InChIKeyCXNJUWWRWZDVAY-UHFFFAOYSA-N
XLogP3.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride (CID 21393703) is 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride is Cl.Cl.c1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1.
What is the InChIKey of 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride?
The InChIKey is CXNJUWWRWZDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.2ClH/c1-2-4-18-14-20(16-22-7-11-24-12-8-22)19(13-17(18)3-1)15-21-5-9-23-10-6-21;;/h1-4,13-14H,5-12,15-16H2;2*1H.
What are the key properties of 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride?
4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride has a molecular weight of 399.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 21393703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).