(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C14H20N2O2 — CID 103711801

IUPAC(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-3-5-16(6-4-11)14(18)12-7-13(17)9-15-8-12/h7-11,17H,3-6H2,1-2H3
InChIKeyYLKSOYUUFACKSG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds2

About (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103711801) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103711801
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-3-5-16(6-4-11)14(18)12-7-13(17)9-15-8-12/h7-11,17H,3-6H2,1-2H3
InChIKeyYLKSOYUUFACKSG-UHFFFAOYSA-N
XLogP2.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103711801) is (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is YLKSOYUUFACKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-3-5-16(6-4-11)14(18)12-7-13(17)9-15-8-12/h7-11,17H,3-6H2,1-2H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103711801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).