(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone

C14H20N2O2 — CID 80718021

IUPAC(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-5-8-16(9-6-11)14(18)12-4-7-15-10-13(12)17/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3
InChIKeyLCKJQMYMMMTMSK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds3

About (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone

(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone (PubChem CID 80718021) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
PubChem CID80718021
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-5-8-16(9-6-11)14(18)12-4-7-15-10-13(12)17/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3
InChIKeyLCKJQMYMMMTMSK-UHFFFAOYSA-N
XLogP2.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81439177
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone (CID 80718021) is (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2ccncc2O)CC1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone?
The InChIKey is LCKJQMYMMMTMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-11-5-8-16(9-6-11)14(18)12-4-7-15-10-13(12)17/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3.
What are the key properties of (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone?
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 80718021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).