[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone

C14H20N2O3 — CID 84580383

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2CCO)ccn1
InChIInChI=1S/C14H20N2O3/c1-19-13-10-11(5-7-15-13)14(18)16-8-3-2-4-12(16)6-9-17/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyXONDVWFWCFPUCL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds4

About [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 84580383) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID84580383
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCCCC2CCO)ccn1
InChIInChI=1S/C14H20N2O3/c1-19-13-10-11(5-7-15-13)14(18)16-8-3-2-4-12(16)6-9-17/h5,7,10,12,17H,2-4,6,8-9H2,1H3
InChIKeyXONDVWFWCFPUCL-UHFFFAOYSA-N
XLogP1.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(2-methoxy-4-pyridinyl)naphthalen-2-yl]methanone
CID 175641852
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(2-bromo-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933017
(3-chloro-4-hydroxy-5-methoxyphenyl)-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 155951053
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 42286355
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone (CID 84580383) is [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCCCC2CCO)ccn1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is XONDVWFWCFPUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-10-11(5-7-15-13)14(18)16-8-3-2-4-12(16)6-9-17/h5,7,10,12,17H,2-4,6,8-9H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 84580383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).