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

C15H21NO3 — CID 103957620

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCO)C2)ccc1O
InChIInChI=1S/C15H21NO3/c1-11-9-13(4-5-14(11)18)15(19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3
InChIKeyZGAJHAVEQUJULD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds3

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

[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 103957620) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
PubChem CID103957620
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CCO)C2)ccc1O
InChIInChI=1S/C15H21NO3/c1-11-9-13(4-5-14(11)18)15(19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3
InChIKeyZGAJHAVEQUJULD-UHFFFAOYSA-N
XLogP1.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95553293
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(3-bromo-4-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855477
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone (CID 103957620) is [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC(CCO)C2)ccc1O.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is ZGAJHAVEQUJULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-9-13(4-5-14(11)18)15(19)16-7-2-3-12(10-16)6-8-17/h4-5,9,12,17-18H,2-3,6-8,10H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 103957620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).