(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone

C14H20N2O2 — CID 65462948

IUPAC(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCNCC2(C)C)c1O
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(12(10)17)13(18)16-8-7-15-9-14(16,2)3/h4-6,15,17H,7-9H2,1-3H3
InChIKeyNEJWKJBXHOAWEP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds1

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

(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 65462948) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
PubChem CID65462948
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCNCC2(C)C)c1O
InChIInChI=1S/C14H20N2O2/c1-10-5-4-6-11(12(10)17)13(18)16-8-7-15-9-14(16,2)3/h4-6,15,17H,7-9H2,1-3H3
InChIKeyNEJWKJBXHOAWEP-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone (CID 65462948) is (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCNCC2(C)C)c1O.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is NEJWKJBXHOAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-4-6-11(12(10)17)13(18)16-8-7-15-9-14(16,2)3/h4-6,15,17H,7-9H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone?
(2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 65462948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).