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

C11H22N2O — CID 25219599

IUPACN-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCN(CC1CCCO1)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-13(9-11-3-2-8-14-11)10-4-6-12-7-5-10/h10-12H,2-9H2,1H3
InChIKeyDOBMVARRMXTNME-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

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

N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 25219599) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID25219599
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCN(CC1CCCO1)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-13(9-11-3-2-8-14-11)10-4-6-12-7-5-10/h10-12H,2-9H2,1H3
InChIKeyDOBMVARRMXTNME-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 N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 25219599) is N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is CN(CC1CCCO1)C1CCNCC1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is DOBMVARRMXTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13(9-11-3-2-8-14-11)10-4-6-12-7-5-10/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
N-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 N-methyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 25219599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).