(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine

C12H22N4 — CID 82756307

IUPAC(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
SMILESCC(C)n1cncc1CN1CCNC[C@@H]1C
InChIInChI=1S/C12H22N4/c1-10(2)16-9-14-7-12(16)8-15-5-4-13-6-11(15)3/h7,9-11,13H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyYJLHZHWIKZMYNW-NSHDSACASA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds3

About (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine

(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine (PubChem CID 82756307) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
PubChem CID82756307
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine
SMILESCC(C)n1cncc1CN1CCNC[C@@H]1C
InChIInChI=1S/C12H22N4/c1-10(2)16-9-14-7-12(16)8-15-5-4-13-6-11(15)3/h7,9-11,13H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyYJLHZHWIKZMYNW-NSHDSACASA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-[(2-methyltriazol-4-yl)methyl]piperazine
CID 130591920
[3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788624
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
(2S)-2-methyl-1-(1H-pyrazol-4-ylmethyl)piperazine
CID 130569472
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66163826
N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 66162231
(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
CID 82713988
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356
(1S,4S)-5-[(3-propan-2-ylimidazol-4-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 154566931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine?
The IUPAC name of (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine (CID 82756307) is (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine is CC(C)n1cncc1CN1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine?
The InChIKey is YJLHZHWIKZMYNW-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-9-14-7-12(16)8-15-5-4-13-6-11(15)3/h7,9-11,13H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine?
(2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 82756307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).