(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

C14H19NO2 — CID 103951613

IUPAC(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1O
InChIInChI=1S/C14H19NO2/c1-10-4-3-7-15(9-10)14(17)12-5-6-13(16)11(2)8-12/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyLKAPAWFEKBXUTN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds1

About (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 103951613) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID103951613
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1O
InChIInChI=1S/C14H19NO2/c1-10-4-3-7-15(9-10)14(17)12-5-6-13(16)11(2)8-12/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyLKAPAWFEKBXUTN-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 103951613) is (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2)ccc1O.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LKAPAWFEKBXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-3-7-15(9-10)14(17)12-5-6-13(16)11(2)8-12/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103951613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).