(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine

C10H18N4 — CID 103885858

IUPAC(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CN(Cc2cncn2C)CCN1
InChIInChI=1S/C10H18N4/c1-9-6-14(4-3-12-9)7-10-5-11-8-13(10)2/h5,8-9,12H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeySXXUWLFMSBFZCG-SECBINFHSA-N
MW194.28 g/mol
LogP0.21
Rot. Bonds2

About (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine

(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine (PubChem CID 103885858) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
PubChem CID103885858
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
SMILESC[C@@H]1CN(Cc2cncn2C)CCN1
InChIInChI=1S/C10H18N4/c1-9-6-14(4-3-12-9)7-10-5-11-8-13(10)2/h5,8-9,12H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeySXXUWLFMSBFZCG-SECBINFHSA-N
XLogP0.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine 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-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine
CID 104975653
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]methanol
CID 66141579
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702066
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine (CID 103885858) is (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine is C[C@@H]1CN(Cc2cncn2C)CCN1.
What is the InChIKey of (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine?
The InChIKey is SXXUWLFMSBFZCG-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-6-14(4-3-12-9)7-10-5-11-8-13(10)2/h5,8-9,12H,3-4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine?
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 103885858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).