(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

C14H16N4O2 — CID 91838716

IUPAC(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C14H16N4O2/c19-13(11-9-16-17-10-11)18-7-4-14(20,5-8-18)12-3-1-2-6-15-12/h1-3,6,9-10,20H,4-5,7-8H2,(H,16,17)
InChIKeyKRJZKWZJIIZXKM-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.93
Rot. Bonds2

About (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 91838716) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID91838716
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C14H16N4O2/c19-13(11-9-16-17-10-11)18-7-4-14(20,5-8-18)12-3-1-2-6-15-12/h1-3,6,9-10,20H,4-5,7-8H2,(H,16,17)
InChIKeyKRJZKWZJIIZXKM-UHFFFAOYSA-N
XLogP0.93
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 91838716) is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is KRJZKWZJIIZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(11-9-16-17-10-11)18-7-4-14(20,5-8-18)12-3-1-2-6-15-12/h1-3,6,9-10,20H,4-5,7-8H2,(H,16,17).
What are the key properties of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 91838716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).