[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C17H26N4O3 — CID 91795995

IUPAC[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C17H26N4O3/c22-13-12-19-8-10-20(11-9-19)14-3-6-21(7-4-14)17(24)16-15(23)2-1-5-18-16/h1-2,5,14,22-23H,3-4,6-13H2
InChIKeyBSAJKIGHIHUYFY-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.00
Rot. Bonds4

About [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 91795995) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID91795995
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C17H26N4O3/c22-13-12-19-8-10-20(11-9-19)14-3-6-21(7-4-14)17(24)16-15(23)2-1-5-18-16/h1-2,5,14,22-23H,3-4,6-13H2
InChIKeyBSAJKIGHIHUYFY-UHFFFAOYSA-N
XLogP0.00
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 133126884
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203985
2-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 94824147
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230
(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 95707922

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 91795995) is [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCC(N2CCN(CCO)CC2)CC1.
What is the InChIKey of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is BSAJKIGHIHUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-13-12-19-8-10-20(11-9-19)14-3-6-21(7-4-14)17(24)16-15(23)2-1-5-18-16/h1-2,5,14,22-23H,3-4,6-13H2.
What are the key properties of [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 91795995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).