1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one

C15H29NO2 — CID 114228993

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC1(C)CCN(CCC(=O)C(C)(C)OC)CC1
InChIInChI=1S/C15H29NO2/c1-6-15(4)8-11-16(12-9-15)10-7-13(17)14(2,3)18-5/h6-12H2,1-5H3
InChIKeyQZSODXYEZGEQSP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one

1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one (PubChem CID 114228993) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one
PubChem CID114228993
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one
SMILESCCC1(C)CCN(CCC(=O)C(C)(C)OC)CC1
InChIInChI=1S/C15H29NO2/c1-6-15(4)8-11-16(12-9-15)10-7-13(17)14(2,3)18-5/h6-12H2,1-5H3
InChIKeyQZSODXYEZGEQSP-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
CID 63972977
4-[4-(Methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 66454680
1-(4-Methoxy-1-propylpiperidin-4-yl)propan-1-one
CID 83225582
1-(4-Methoxy-1-methylpiperidin-4-yl)propan-1-one
CID 83225816
1-(1-Ethyl-4-methoxypiperidin-4-yl)propan-1-one
CID 83226621
1-(4-Methoxy-2,2-dimethylbutyl)piperidin-4-one
CID 105887589
1-(4-Methoxy-2,2-dimethylbutyl)-3-methylpiperidin-4-one
CID 105887600
4-(3-Methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 107395040
1-(3-Methoxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
CID 107395055
1-[4-(Dimethylamino)piperidin-1-yl]-4-methoxy-4-methylpentan-3-one
CID 114228955
4-Methoxy-4-methyl-1-(4-propylpiperidin-1-yl)pentan-3-one
CID 114228958
1-[Bis(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
CID 114228959

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one (CID 114228993) is 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one is CCC1(C)CCN(CCC(=O)C(C)(C)OC)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one?
The InChIKey is QZSODXYEZGEQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-15(4)8-11-16(12-9-15)10-7-13(17)14(2,3)18-5/h6-12H2,1-5H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one?
1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one has a molecular weight of 255.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).