[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone

C19H22N2O3 — CID 110906671

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
SMILESO=C(c1ccc(Oc2cccnc2)cc1)N1CCCCC1CCO
InChIInChI=1S/C19H22N2O3/c22-13-10-16-4-1-2-12-21(16)19(23)15-6-8-17(9-7-15)24-18-5-3-11-20-14-18/h3,5-9,11,14,16,22H,1-2,4,10,12-13H2
InChIKeyRGDNCURMTYGSFE-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.25
Rot. Bonds5

About [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone (PubChem CID 110906671) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
PubChem CID110906671
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
SMILESO=C(c1ccc(Oc2cccnc2)cc1)N1CCCCC1CCO
InChIInChI=1S/C19H22N2O3/c22-13-10-16-4-1-2-12-21(16)19(23)15-6-8-17(9-7-15)24-18-5-3-11-20-14-18/h3,5-9,11,14,16,22H,1-2,4,10,12-13H2
InChIKeyRGDNCURMTYGSFE-UHFFFAOYSA-N
XLogP3.25
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 128988547
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 124738838
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 48501123
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 110895266

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone (CID 110906671) is [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone is O=C(c1ccc(Oc2cccnc2)cc1)N1CCCCC1CCO.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
The InChIKey is RGDNCURMTYGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-13-10-16-4-1-2-12-21(16)19(23)15-6-8-17(9-7-15)24-18-5-3-11-20-14-18/h3,5-9,11,14,16,22H,1-2,4,10,12-13H2.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.25, 5 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]-(4-pyridin-3-yloxyphenyl)methanone is sourced from PubChem (CID 110906671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).