1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one

C13H26N2O — CID 60776234

IUPAC1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN(CC)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-13(16)15-9-7-12(8-10-15)11-14(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyPIPUYDCVUWEUIZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds5

About 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one

1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 60776234) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID60776234
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CN(CC)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-13(16)15-9-7-12(8-10-15)11-14(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyPIPUYDCVUWEUIZ-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79279608
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
2-bromo-1-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 54875819
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one (CID 60776234) is 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CN(CC)CC)CC1.
What is the InChIKey of 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is PIPUYDCVUWEUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-13(16)15-9-7-12(8-10-15)11-14(5-2)6-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one?
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).