2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine

C14H28N2O — CID 113349439

IUPAC2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NC(C)C2CCN(C)CC2)CCO1
InChIInChI=1S/C14H28N2O/c1-11-10-14(6-9-17-11)15-12(2)13-4-7-16(3)8-5-13/h11-15H,4-10H2,1-3H3
InChIKeyZTPVHBCJEQHNKI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine (PubChem CID 113349439) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine
PubChem CID113349439
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine
SMILESCC1CC(NC(C)C2CCN(C)CC2)CCO1
InChIInChI=1S/C14H28N2O/c1-11-10-14(6-9-17-11)15-12(2)13-4-7-16(3)8-5-13/h11-15H,4-10H2,1-3H3
InChIKeyZTPVHBCJEQHNKI-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine (CID 113349439) is 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine is CC1CC(NC(C)C2CCN(C)CC2)CCO1.
What is the InChIKey of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine?
The InChIKey is ZTPVHBCJEQHNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-10-14(6-9-17-11)15-12(2)13-4-7-16(3)8-5-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine?
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 113349439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).