1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine

C16H29N5 — CID 114720756

IUPAC1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
SMILESCC1CCCC(c2cncn2CC2CN(C)CCN2C)N1
InChIInChI=1S/C16H29N5/c1-13-5-4-6-15(18-13)16-9-17-12-21(16)11-14-10-19(2)7-8-20(14)3/h9,12-15,18H,4-8,10-11H2,1-3H3
InChIKeyMEVFNKSELYVHEG-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.33
Rot. Bonds3

About 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine

1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine (PubChem CID 114720756) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
PubChem CID114720756
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
SMILESCC1CCCC(c2cncn2CC2CN(C)CCN2C)N1
InChIInChI=1S/C16H29N5/c1-13-5-4-6-15(18-13)16-9-17-12-21(16)11-14-10-19(2)7-8-20(14)3/h9,12-15,18H,4-8,10-11H2,1-3H3
InChIKeyMEVFNKSELYVHEG-UHFFFAOYSA-N
XLogP1.33
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine?
The IUPAC name of 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine (CID 114720756) is 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine.
What is the SMILES notation for 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine?
The canonical SMILES for 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine is CC1CCCC(c2cncn2CC2CN(C)CCN2C)N1.
What is the InChIKey of 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine?
The InChIKey is MEVFNKSELYVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13-5-4-6-15(18-13)16-9-17-12-21(16)11-14-10-19(2)7-8-20(14)3/h9,12-15,18H,4-8,10-11H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine?
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine is sourced from PubChem (CID 114720756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).