1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol

C19H29N7O — CID 45206422

IUPAC1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol
SMILESCc1nccc(N2CCC(Cn3cc(CN4CCCC(O)C4)nn3)CC2)n1
InChIInChI=1S/C19H29N7O/c1-15-20-7-4-19(21-15)25-9-5-16(6-10-25)11-26-13-17(22-23-26)12-24-8-2-3-18(27)14-24/h4,7,13,16,18,27H,2-3,5-6,8-12,14H2,1H3
InChIKeyRTTBJADJDFUJRK-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.25
Rot. Bonds5

About 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol

1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol (PubChem CID 45206422) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol
PubChem CID45206422
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol
SMILESCc1nccc(N2CCC(Cn3cc(CN4CCCC(O)C4)nn3)CC2)n1
InChIInChI=1S/C19H29N7O/c1-15-20-7-4-19(21-15)25-9-5-16(6-10-25)11-26-13-17(22-23-26)12-24-8-2-3-18(27)14-24/h4,7,13,16,18,27H,2-3,5-6,8-12,14H2,1H3
InChIKeyRTTBJADJDFUJRK-UHFFFAOYSA-N
XLogP1.25
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol (CID 45206422) is 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol is Cc1nccc(N2CCC(Cn3cc(CN4CCCC(O)C4)nn3)CC2)n1.
What is the InChIKey of 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is RTTBJADJDFUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-15-20-7-4-19(21-15)25-9-5-16(6-10-25)11-26-13-17(22-23-26)12-24-8-2-3-18(27)14-24/h4,7,13,16,18,27H,2-3,5-6,8-12,14H2,1H3.
What are the key properties of 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol?
1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 371.49 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 45206422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).