2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine

C13H26N2O — CID 107069025

IUPAC2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
SMILESCC1CCCNC1CN1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-11-5-4-6-14-12(11)9-15-7-8-16-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyGGRWRVAWMGQOKG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds2

About 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine

2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine (PubChem CID 107069025) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
PubChem CID107069025
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
SMILESCC1CCCNC1CN1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-11-5-4-6-14-12(11)9-15-7-8-16-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyGGRWRVAWMGQOKG-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine (CID 107069025) is 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine is CC1CCCNC1CN1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine?
The InChIKey is GGRWRVAWMGQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-5-4-6-14-12(11)9-15-7-8-16-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine?
2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine is sourced from PubChem (CID 107069025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).