4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine

C13H26N2O — CID 66247370

IUPAC4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)5-4-6-15(10-13)7-11-8-16-9-12(11)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeySZGLQVYGZFVXSK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds3

About 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine

4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 66247370) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
PubChem CID66247370
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)5-4-6-15(10-13)7-11-8-16-9-12(11)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeySZGLQVYGZFVXSK-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine (CID 66247370) is 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine is CNC1COCC1CN1CCCC(C)(C)C1.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is SZGLQVYGZFVXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)5-4-6-15(10-13)7-11-8-16-9-12(11)14-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine?
4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66247370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).