(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol

C18H27N5O2 — CID 133395788

IUPAC(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)COc1cncc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13(2)12-25-16-11-19-10-15(21-16)23-7-4-14(5-8-23)17(24)18-20-6-9-22(18)3/h6,9-11,13-14,17,24H,4-5,7-8,12H2,1-3H3
InChIKeyUIDTXCPDUJHZKU-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.19
Rot. Bonds6

About (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 133395788) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID133395788
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCC(C)COc1cncc(N2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C18H27N5O2/c1-13(2)12-25-16-11-19-10-15(21-16)23-7-4-14(5-8-23)17(24)18-20-6-9-22(18)3/h6,9-11,13-14,17,24H,4-5,7-8,12H2,1-3H3
InChIKeyUIDTXCPDUJHZKU-UHFFFAOYSA-N
XLogP2.19
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol (CID 133395788) is (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol is CC(C)COc1cncc(N2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is UIDTXCPDUJHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(2)12-25-16-11-19-10-15(21-16)23-7-4-14(5-8-23)17(24)18-20-6-9-22(18)3/h6,9-11,13-14,17,24H,4-5,7-8,12H2,1-3H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 345.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 133395788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).