1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine

C13H26N2O — CID 82836292

IUPAC1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine
SMILESCC1CCC(CNC2CCN(C)C(C)C2)O1
InChIInChI=1S/C13H26N2O/c1-10-8-12(6-7-15(10)3)14-9-13-5-4-11(2)16-13/h10-14H,4-9H2,1-3H3
InChIKeyUOSWVQVZQOZHBW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine

1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine (PubChem CID 82836292) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine
PubChem CID82836292
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine
SMILESCC1CCC(CNC2CCN(C)C(C)C2)O1
InChIInChI=1S/C13H26N2O/c1-10-8-12(6-7-15(10)3)14-9-13-5-4-11(2)16-13/h10-14H,4-9H2,1-3H3
InChIKeyUOSWVQVZQOZHBW-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine (CID 82836292) is 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine is CC1CCC(CNC2CCN(C)C(C)C2)O1.
What is the InChIKey of 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine?
The InChIKey is UOSWVQVZQOZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-8-12(6-7-15(10)3)14-9-13-5-4-11(2)16-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine?
1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 82836292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).