[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol

C19H28N6O — CID 29151793

IUPAC[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)nn1
InChIInChI=1S/C19H28N6O/c26-14-17-13-25(23-22-17)18-6-8-24(9-7-18)12-15-10-20-19(21-11-15)16-4-2-1-3-5-16/h10-11,13,16,18,26H,1-9,12,14H2
InChIKeySILPQHHKOHBNBB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.45
Rot. Bonds5

About [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol

[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol (PubChem CID 29151793) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol
PubChem CID29151793
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol
SMILESOCc1cn(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)nn1
InChIInChI=1S/C19H28N6O/c26-14-17-13-25(23-22-17)18-6-8-24(9-7-18)12-15-10-20-19(21-11-15)16-4-2-1-3-5-16/h10-11,13,16,18,26H,1-9,12,14H2
InChIKeySILPQHHKOHBNBB-UHFFFAOYSA-N
XLogP2.45
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol (CID 29151793) is [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol is OCc1cn(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)nn1.
What is the InChIKey of [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol?
The InChIKey is SILPQHHKOHBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c26-14-17-13-25(23-22-17)18-6-8-24(9-7-18)12-15-10-20-19(21-11-15)16-4-2-1-3-5-16/h10-11,13,16,18,26H,1-9,12,14H2.
What are the key properties of [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol?
[1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol is sourced from PubChem (CID 29151793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).