1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

C11H22N2O — CID 3152203

IUPAC1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3
InChIKeyZDXPPVJOETXBJZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

About 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 3152203) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID3152203
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3
InChIKeyZDXPPVJOETXBJZ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 3152203) is 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is CN1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is ZDXPPVJOETXBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 3152203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).