1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

C13H26N2O2 — CID 103017188

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCCC1CN(C(=O)CC(C)(C)OC)CCC1N
InChIInChI=1S/C13H26N2O2/c1-5-10-9-15(7-6-11(10)14)12(16)8-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyZBEZKXFLZNJKEV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds4

About 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one

1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103017188) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
PubChem CID103017188
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCCC1CN(C(=O)CC(C)(C)OC)CCC1N
InChIInChI=1S/C13H26N2O2/c1-5-10-9-15(7-6-11(10)14)12(16)8-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyZBEZKXFLZNJKEV-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103019511
1-(4-Amino-3-ethylpiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205309
1-(4-Amino-3-ethylpiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205310
1-[3-Ethyl-4-(methylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205311
3-(2,2-Difluoroethoxy)-1-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-one
CID 103205313
1-[3-Ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205314
3-(2,2-Difluoroethoxy)-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]propan-1-one
CID 103205316
3-(2,2-Difluoroethoxy)-1-[3-ethyl-4-(propylamino)piperidin-1-yl]propan-1-one
CID 103205318
1-[3-(1-Aminoethyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103807119
1-[3-(1-Aminoethyl)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
CID 113788455
(3-Methoxy-1,3-dimethylbutyl)[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amine
CID 50954102
1-(4-Aminopiperidin-1-yl)-3-hydroxy-3-methylbutan-1-one
CID 66733825

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one (CID 103017188) is 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is CCC1CN(C(=O)CC(C)(C)OC)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is ZBEZKXFLZNJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-10-9-15(7-6-11(10)14)12(16)8-13(2,3)17-4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103017188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).