3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one

C14H29N3O — CID 81087242

IUPAC3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(11-15)10-13(18)16-6-8-17(9-7-16)14(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyVJUOOJUMRINUQH-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds4

About 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one

3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one (PubChem CID 81087242) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
PubChem CID81087242
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-12(11-15)10-13(18)16-6-8-17(9-7-16)14(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyVJUOOJUMRINUQH-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-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

3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
3-(aminomethyl)-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 81075469
3-(aminomethyl)-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 81087569
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907
3-(aminomethyl)-1-(3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409154
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
1-[3-(aminomethyl)pentanoyl]-4-ethylpiperidine-4-carboxylic acid
CID 81079245
3-(aminomethyl)-1-[4-(2-methylphenyl)piperazin-1-yl]pentan-1-one
CID 81084358
1-[3-(aminomethyl)pentanoyl]-N-ethylpiperidine-4-carboxamide
CID 81087190
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one (CID 81087242) is 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one is CCC(CN)CC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one?
The InChIKey is VJUOOJUMRINUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-12(11-15)10-13(18)16-6-8-17(9-7-16)14(2,3)4/h12H,5-11,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one?
3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-tert-butylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 81087242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).