3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one

C13H24N2O2 — CID 103057634

IUPAC3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
SMILESCN1CCC(N(C)CC2COCCC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-14-6-3-12(4-7-14)15(2)9-11-10-17-8-5-13(11)16/h11-12H,3-10H2,1-2H3
InChIKeyRZVNBVYSOLCCPJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds3

About 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one

3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one (PubChem CID 103057634) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
PubChem CID103057634
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one
SMILESCN1CCC(N(C)CC2COCCC2=O)CC1
InChIInChI=1S/C13H24N2O2/c1-14-6-3-12(4-7-14)15(2)9-11-10-17-8-5-13(11)16/h11-12H,3-10H2,1-2H3
InChIKeyRZVNBVYSOLCCPJ-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[cycloheptyl(methyl)amino]methyl]oxan-4-one
CID 103057733
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758
3-[[2-(dimethylamino)ethyl-methylamino]methyl]oxan-4-one
CID 103058009
4-methyl-2-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 62612208
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057820
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]oxan-4-one
CID 103057821
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]oxan-4-one
CID 103058171
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
3-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103057762
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one (CID 103057634) is 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one is CN1CCC(N(C)CC2COCCC2=O)CC1.
What is the InChIKey of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one?
The InChIKey is RZVNBVYSOLCCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-6-3-12(4-7-14)15(2)9-11-10-17-8-5-13(11)16/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one?
3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one has a molecular weight of 240.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).