N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine

C11H22N2O — CID 82729238

IUPACN-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine
SMILESCNC1CCN(C2CCOC2C)CC1
InChIInChI=1S/C11H22N2O/c1-9-11(5-8-14-9)13-6-3-10(12-2)4-7-13/h9-12H,3-8H2,1-2H3
InChIKeyRUOXRWWOLNWBEJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine

N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine (PubChem CID 82729238) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine
PubChem CID82729238
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine
SMILESCNC1CCN(C2CCOC2C)CC1
InChIInChI=1S/C11H22N2O/c1-9-11(5-8-14-9)13-6-3-10(12-2)4-7-13/h9-12H,3-8H2,1-2H3
InChIKeyRUOXRWWOLNWBEJ-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine (CID 82729238) is N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine is CNC1CCN(C2CCOC2C)CC1.
What is the InChIKey of N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine?
The InChIKey is RUOXRWWOLNWBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-11(5-8-14-9)13-6-3-10(12-2)4-7-13/h9-12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine?
N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 82729238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).