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

C11H22N2O — CID 28706724

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)13-5-3-10(8-12)4-6-13/h9-10H,3-8,12H2,1-2H3
InChIKeyVXIKASDQOWGCSO-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds3

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

1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 28706724) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID28706724
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)13-5-3-10(8-12)4-6-13/h9-10H,3-8,12H2,1-2H3
InChIKeyVXIKASDQOWGCSO-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)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-methylbutan-1-one
CID 63594642
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
3-methyl-1-[4-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]butan-1-one
CID 138667582
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 114801661
1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119422924

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one (CID 28706724) is 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is VXIKASDQOWGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)7-11(14)13-5-3-10(8-12)4-6-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 28706724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).