1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone

C12H24N2O — CID 21061549

IUPAC1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-10(15)14-8-6-11(7-9-14)13(5)12(2,3)4/h11H,6-9H2,1-5H3
InChIKeyKFLMWJAUHKLFIT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.73
Rot. Bonds1

About 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone

1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone (PubChem CID 21061549) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone
PubChem CID21061549
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-10(15)14-8-6-11(7-9-14)13(5)12(2,3)4/h11H,6-9H2,1-5H3
InChIKeyKFLMWJAUHKLFIT-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone (CID 21061549) is 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone?
The InChIKey is KFLMWJAUHKLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15)14-8-6-11(7-9-14)13(5)12(2,3)4/h11H,6-9H2,1-5H3.
What are the key properties of 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone?
1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(methyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 21061549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).