(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone

C15H21NO2 — CID 62330190

IUPAC(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2C)cc1O
InChIInChI=1S/C15H21NO2/c1-10-6-7-16(12(3)8-10)15(18)13-5-4-11(2)14(17)9-13/h4-5,9-10,12,17H,6-8H2,1-3H3
InChIKeyHOKUSHCZAYRUSG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone

(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone (PubChem CID 62330190) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
PubChem CID62330190
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2C)cc1O
InChIInChI=1S/C15H21NO2/c1-10-6-7-16(12(3)8-10)15(18)13-5-4-11(2)14(17)9-13/h4-5,9-10,12,17H,6-8H2,1-3H3
InChIKeyHOKUSHCZAYRUSG-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 65387685
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
(3,4-dihydroxyphenyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 113358548
4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 62331984
(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103522096
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 62331665
[2-(chloromethyl)azepan-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 116639245
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone (CID 62330190) is (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2C)cc1O.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
The InChIKey is HOKUSHCZAYRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-16(12(3)8-10)15(18)13-5-4-11(2)14(17)9-13/h4-5,9-10,12,17H,6-8H2,1-3H3.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone?
(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 62330190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).