N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine

C11H22N2O — CID 54594205

IUPACN-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCNC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C11H22N2O/c1-12-11-2-5-13(6-3-11)8-10-4-7-14-9-10/h10-12H,2-9H2,1H3
InChIKeyPNFYNBBBJIYYNV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine

N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 54594205) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID54594205
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCNC1CCN(CC2CCOC2)CC1
InChIInChI=1S/C11H22N2O/c1-12-11-2-5-13(6-3-11)8-10-4-7-14-9-10/h10-12H,2-9H2,1H3
InChIKeyPNFYNBBBJIYYNV-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine (CID 54594205) is N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine is CNC1CCN(CC2CCOC2)CC1.
What is the InChIKey of N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is PNFYNBBBJIYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-11-2-5-13(6-3-11)8-10-4-7-14-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine?
N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 54594205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).