N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine

C13H26N2O — CID 103991931

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine
SMILESCN1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3
InChIKeyCYVPAIUXVBTSNX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine (PubChem CID 103991931) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine
PubChem CID103991931
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine
SMILESCN1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3
InChIKeyCYVPAIUXVBTSNX-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine (CID 103991931) is N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine is CN1CCC(C)(CNC2CCOCC2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine?
The InChIKey is CYVPAIUXVBTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103991931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).