4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol

C14H19N5O — CID 72881121

IUPAC4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCc1ccnc(N2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-12-2-5-16-13(17-12)19-7-3-14(20,4-8-19)10-18-9-6-15-11-18/h2,5-6,9,11,20H,3-4,7-8,10H2,1H3
InChIKeyHGYXLULIIQRQLZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol

4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol (PubChem CID 72881121) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
PubChem CID72881121
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol
SMILESCc1ccnc(N2CCC(O)(Cn3ccnc3)CC2)n1
InChIInChI=1S/C14H19N5O/c1-12-2-5-16-13(17-12)19-7-3-14(20,4-8-19)10-18-9-6-15-11-18/h2,5-6,9,11,20H,3-4,7-8,10H2,1H3
InChIKeyHGYXLULIIQRQLZ-UHFFFAOYSA-N
XLogP1.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol (CID 72881121) is 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol is Cc1ccnc(N2CCC(O)(Cn3ccnc3)CC2)n1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol?
The InChIKey is HGYXLULIIQRQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-12-2-5-16-13(17-12)19-7-3-14(20,4-8-19)10-18-9-6-15-11-18/h2,5-6,9,11,20H,3-4,7-8,10H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol?
4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol has a molecular weight of 273.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidin-4-ol is sourced from PubChem (CID 72881121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).