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

C21H28N2O — CID 21393709

IUPAC4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine
SMILESc1ccc2c(CN3CCOCC3)c(CN3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2O/c1-4-10-22(11-5-1)16-19-9-8-18-6-2-3-7-20(18)21(19)17-23-12-14-24-15-13-23/h2-3,6-9H,1,4-5,10-17H2
InChIKeyXQHWJDBPJSXAHH-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.66
Rot. Bonds4

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

4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine (PubChem CID 21393709) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine
PubChem CID21393709
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine
SMILESc1ccc2c(CN3CCOCC3)c(CN3CCCCC3)ccc2c1
InChIInChI=1S/C21H28N2O/c1-4-10-22(11-5-1)16-19-9-8-18-6-2-3-7-20(18)21(19)17-23-12-14-24-15-13-23/h2-3,6-9H,1,4-5,10-17H2
InChIKeyXQHWJDBPJSXAHH-UHFFFAOYSA-N
XLogP3.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine (CID 21393709) is 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine is c1ccc2c(CN3CCOCC3)c(CN3CCCCC3)ccc2c1.
What is the InChIKey of 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine?
The InChIKey is XQHWJDBPJSXAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-10-22(11-5-1)16-19-9-8-18-6-2-3-7-20(18)21(19)17-23-12-14-24-15-13-23/h2-3,6-9H,1,4-5,10-17H2.
What are the key properties of 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine?
4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine has a molecular weight of 324.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine is sourced from PubChem (CID 21393709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).