1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

C12H22N4 — CID 115615367

IUPAC1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cncn1C
InChIInChI=1S/C12H22N4/c1-10-8-15(2)5-4-12(10)14-7-11-6-13-9-16(11)3/h6,9-10,12,14H,4-5,7-8H2,1-3H3
InChIKeyCSKIKPXECBSZIG-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.85
Rot. Bonds3

About 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 115615367) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID115615367
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cncn1C
InChIInChI=1S/C12H22N4/c1-10-8-15(2)5-4-12(10)14-7-11-6-13-9-16(11)3/h6,9-10,12,14H,4-5,7-8H2,1-3H3
InChIKeyCSKIKPXECBSZIG-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine 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

2-methyl-N-[(3-methylimidazol-4-yl)methyl]oxolan-3-amine
CID 82726357
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
1,3-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 115615373
2,6-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007117
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 63001589
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 114503529
N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
CID 107900391
1,3-dimethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 104628452

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (CID 115615367) is 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is CC1CN(C)CCC1NCc1cncn1C.
What is the InChIKey of 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is CSKIKPXECBSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-8-15(2)5-4-12(10)14-7-11-6-13-9-16(11)3/h6,9-10,12,14H,4-5,7-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115615367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).