3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine

C12H22N4 — CID 66130031

IUPAC3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
SMILESCCCn1cncc1CN1CCNC(C)C1
InChIInChI=1S/C12H22N4/c1-3-5-16-10-13-7-12(16)9-15-6-4-14-11(2)8-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQNCIEJRCPLWSPE-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds4

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

3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine (PubChem CID 66130031) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
PubChem CID66130031
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
SMILESCCCn1cncc1CN1CCNC(C)C1
InChIInChI=1S/C12H22N4/c1-3-5-16-10-13-7-12(16)9-15-6-4-14-11(2)8-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQNCIEJRCPLWSPE-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
CID 79987030
3-methyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 115879784
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperazine
CID 104975653
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
1-[(3-ethylimidazol-4-yl)methyl]-4-methylpiperidin-3-ol
CID 102959689
3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
CID 103358037
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine?
The IUPAC name of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine (CID 66130031) is 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine is CCCn1cncc1CN1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine?
The InChIKey is QNCIEJRCPLWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-5-16-10-13-7-12(16)9-15-6-4-14-11(2)8-15/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine?
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 66130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).