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

C15H27N5 — CID 77081273

IUPAC1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(Cc3cncn3C)CC2)CC1
InChIInChI=1S/C15H27N5/c1-17-5-3-14(4-6-17)20-9-7-19(8-10-20)12-15-11-16-13-18(15)2/h11,13-14H,3-10,12H2,1-2H3
InChIKeyJEUSFQKGHZZLOT-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.63
Rot. Bonds3

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

1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 77081273) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID77081273
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCN1CCC(N2CCN(Cc3cncn3C)CC2)CC1
InChIInChI=1S/C15H27N5/c1-17-5-3-14(4-6-17)20-9-7-19(8-10-20)12-15-11-16-13-18(15)2/h11,13-14H,3-10,12H2,1-2H3
InChIKeyJEUSFQKGHZZLOT-UHFFFAOYSA-N
XLogP0.63
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine (CID 77081273) is 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine is CN1CCC(N2CCN(Cc3cncn3C)CC2)CC1.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is JEUSFQKGHZZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-17-5-3-14(4-6-17)20-9-7-19(8-10-20)12-15-11-16-13-18(15)2/h11,13-14H,3-10,12H2,1-2H3.
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine?
1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 277.42 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 77081273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).