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

C15H32N2O — CID 142326958

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane
SMILESCC.CN1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12;1-2/h12,14H,3-11H2,1-2H3;1-2H3
InChIKeyIIRPMPFBIJHGNS-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds3

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

N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane (PubChem CID 142326958) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane
PubChem CID142326958
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane
SMILESCC.CN1CCC(C)(CNC2CCOCC2)CC1
InChIInChI=1S/C13H26N2O.C2H6/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12;1-2/h12,14H,3-11H2,1-2H3;1-2H3
InChIKeyIIRPMPFBIJHGNS-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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;ethane?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane (CID 142326958) is N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane is CC.CN1CCC(C)(CNC2CCOCC2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane?
The InChIKey is IIRPMPFBIJHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.C2H6/c1-13(5-7-15(2)8-6-13)11-14-12-3-9-16-10-4-12;1-2/h12,14H,3-11H2,1-2H3;1-2H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane?
N-[(1,4-dimethylpiperidin-4-yl)methyl]oxan-4-amine;ethane has a molecular weight of 256.43 g/mol, XLogP of 2.51, 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;ethane is sourced from PubChem (CID 142326958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).