6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol

C18H26N4O — CID 56711478

IUPAC6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(c3cc(C(C)C)n[nH]3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-12(2)15-10-16(21-20-15)14-6-8-22(9-7-14)11-17-18(23)5-4-13(3)19-17/h4-5,10,12,14,23H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyRUAITGGOYNJMIU-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.32
Rot. Bonds4

About 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol

6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol (PubChem CID 56711478) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
PubChem CID56711478
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC(c3cc(C(C)C)n[nH]3)CC2)n1
InChIInChI=1S/C18H26N4O/c1-12(2)15-10-16(21-20-15)14-6-8-22(9-7-14)11-17-18(23)5-4-13(3)19-17/h4-5,10,12,14,23H,6-9,11H2,1-3H3,(H,20,21)
InChIKeyRUAITGGOYNJMIU-UHFFFAOYSA-N
XLogP3.32
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol (CID 56711478) is 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol is Cc1ccc(O)c(CN2CCC(c3cc(C(C)C)n[nH]3)CC2)n1.
What is the InChIKey of 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol?
The InChIKey is RUAITGGOYNJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(2)15-10-16(21-20-15)14-6-8-22(9-7-14)11-17-18(23)5-4-13(3)19-17/h4-5,10,12,14,23H,6-9,11H2,1-3H3,(H,20,21).
What are the key properties of 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol?
6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 56711478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).