1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one

C12H24N2O — CID 63594642

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)8-12(15)14-6-4-11(5-7-14)10(3)13/h9-11H,4-8,13H2,1-3H3
InChIKeyWNEXNAZONQYFFU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 63594642) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID63594642
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)8-12(15)14-6-4-11(5-7-14)10(3)13/h9-11H,4-8,13H2,1-3H3
InChIKeyWNEXNAZONQYFFU-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119520379
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-ethoxycyclobutyl)ethanone
CID 103164939
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119520484

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one (CID 63594642) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is WNEXNAZONQYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)8-12(15)14-6-4-11(5-7-14)10(3)13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 63594642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).