4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C16H20N4O3 — CID 56752658

IUPAC4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2(O)CCN(Cc3cn[nH]c3C(=O)O)CC2)nc1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-13(17-8-11)16(23)4-6-20(7-5-16)10-12-9-18-19-14(12)15(21)22/h2-3,8-9,23H,4-7,10H2,1H3,(H,18,19)(H,21,22)
InChIKeyVRTIYXQABXJATJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.29
Rot. Bonds4

About 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56752658) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID56752658
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2(O)CCN(Cc3cn[nH]c3C(=O)O)CC2)nc1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-13(17-8-11)16(23)4-6-20(7-5-16)10-12-9-18-19-14(12)15(21)22/h2-3,8-9,23H,4-7,10H2,1H3,(H,18,19)(H,21,22)
InChIKeyVRTIYXQABXJATJ-UHFFFAOYSA-N
XLogP1.29
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 56752658) is 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is Cc1ccc(C2(O)CCN(Cc3cn[nH]c3C(=O)O)CC2)nc1.
What is the InChIKey of 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is VRTIYXQABXJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-2-3-13(17-8-11)16(23)4-6-20(7-5-16)10-12-9-18-19-14(12)15(21)22/h2-3,8-9,23H,4-7,10H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56752658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).