3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one

C14H29N3O — CID 54874480

IUPAC3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCN(CC)CC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C14H29N3O/c1-4-16(5-2)11-13-6-8-17(9-7-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3
InChIKeyIZTFLLKQLQCAFI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one

3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one (PubChem CID 54874480) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
PubChem CID54874480
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
SMILESCCN(CC)CC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C14H29N3O/c1-4-16(5-2)11-13-6-8-17(9-7-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3
InChIKeyIZTFLLKQLQCAFI-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 54874457
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63979201
3-amino-1-[3-[2-(diethylamino)ethoxy]pyrrolidin-1-yl]butan-1-one
CID 119896640
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
(2S)-2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119851985
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
2-bromo-1-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 54875819
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79279608
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one (CID 54874480) is 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one is CCN(CC)CC1CCN(C(=O)CC(C)N)CC1.
What is the InChIKey of 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one?
The InChIKey is IZTFLLKQLQCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-16(5-2)11-13-6-8-17(9-7-13)14(18)10-12(3)15/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one?
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 54874480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).