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

C16H23NO3 — CID 23723724

IUPAC[1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(CCO)C2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-12-10-14(20-2)5-6-15(12)16(19)13-4-3-7-17(11-13)8-9-18/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyYBPITXWLZQHQHU-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.89
Rot. Bonds5

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

[1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 23723724) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID23723724
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCN(CCO)C2)c(C)c1
InChIInChI=1S/C16H23NO3/c1-12-10-14(20-2)5-6-15(12)16(19)13-4-3-7-17(11-13)8-9-18/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyYBPITXWLZQHQHU-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone (CID 23723724) is [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)C2CCCN(CCO)C2)c(C)c1.
What is the InChIKey of [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is YBPITXWLZQHQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-10-14(20-2)5-6-15(12)16(19)13-4-3-7-17(11-13)8-9-18/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone?
[1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 23723724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).