(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23NO2 — CID 103855483

IUPAC(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C)c1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C16H23NO2/c1-12-5-3-6-13(2)15(12)16(19)17-9-4-7-14(11-17)8-10-18/h3,5-6,14,18H,4,7-11H2,1-2H3
InChIKeyPORYZTFWMPGXNA-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.54
Rot. Bonds3

About (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 103855483) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID103855483
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C)c1C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C16H23NO2/c1-12-5-3-6-13(2)15(12)16(19)17-9-4-7-14(11-17)8-10-18/h3,5-6,14,18H,4,7-11H2,1-2H3
InChIKeyPORYZTFWMPGXNA-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128
[3-(2-aminoethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 63765556

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 103855483) is (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cccc(C)c1C(=O)N1CCCC(CCO)C1.
What is the InChIKey of (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PORYZTFWMPGXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-3-6-13(2)15(12)16(19)17-9-4-7-14(11-17)8-10-18/h3,5-6,14,18H,4,7-11H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 261.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103855483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).