(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

C15H21NO2 — CID 103951623

IUPAC(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)ccc1O
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)9-16(8-10)15(18)13-4-5-14(17)12(3)7-13/h4-5,7,10-11,17H,6,8-9H2,1-3H3
InChIKeyVARDHFCBXNEBPT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 103951623) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID103951623
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)ccc1O
InChIInChI=1S/C15H21NO2/c1-10-6-11(2)9-16(8-10)15(18)13-4-5-14(17)12(3)7-13/h4-5,7,10-11,17H,6,8-9H2,1-3H3
InChIKeyVARDHFCBXNEBPT-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 2857981
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 103951623) is (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)ccc1O.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is VARDHFCBXNEBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-11(2)9-16(8-10)15(18)13-4-5-14(17)12(3)7-13/h4-5,7,10-11,17H,6,8-9H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 103951623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).