4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one

C12H24N2O — CID 63236414

IUPAC4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)CC1CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-11(15)4-7-14(3)10-12-5-8-13(2)9-6-12/h12H,4-10H2,1-3H3
InChIKeyYIZQTTKXJYVWTP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds5

About 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one (PubChem CID 63236414) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
PubChem CID63236414
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
SMILESCC(=O)CCN(C)CC1CCN(C)CC1
InChIInChI=1S/C12H24N2O/c1-11(15)4-7-14(3)10-12-5-8-13(2)9-6-12/h12H,4-10H2,1-3H3
InChIKeyYIZQTTKXJYVWTP-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
1-cyclohexyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 113448833
2-(ethylamino)-2-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236573
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
3-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propanoic acid
CID 119123946

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one?
The IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one (CID 63236414) is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one.
What is the SMILES notation for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one?
The canonical SMILES for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one is CC(=O)CCN(C)CC1CCN(C)CC1.
What is the InChIKey of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one?
The InChIKey is YIZQTTKXJYVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(15)4-7-14(3)10-12-5-8-13(2)9-6-12/h12H,4-10H2,1-3H3.
What are the key properties of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one?
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one is sourced from PubChem (CID 63236414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).