[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

C13H18N2O4 — CID 82691397

IUPAC[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H18N2O4/c16-5-6-19-12-1-3-15(4-2-12)13(18)10-7-11(17)9-14-8-10/h7-9,12,16-17H,1-6H2
InChIKeyQNUSWYCWJVTDAP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.40
Rot. Bonds4

About [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 82691397) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID82691397
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESO=C(c1cncc(O)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H18N2O4/c16-5-6-19-12-1-3-15(4-2-12)13(18)10-7-11(17)9-14-8-10/h7-9,12,16-17H,1-6H2
InChIKeyQNUSWYCWJVTDAP-UHFFFAOYSA-N
XLogP0.40
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107033605
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(2-amino-5-hydroxyphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107075819
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 82691427
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 82691397) is [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is O=C(c1cncc(O)c1)N1CCC(OCCO)CC1.
What is the InChIKey of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is QNUSWYCWJVTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-5-6-19-12-1-3-15(4-2-12)13(18)10-7-11(17)9-14-8-10/h7-9,12,16-17H,1-6H2.
What are the key properties of [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 266.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 82691397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).