(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C16H24N2O2 — CID 103863563

IUPAC(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-17-6-8-18(9-7-17)16(20)15-5-4-14(19)10-13(15)3/h4-5,10,12,19H,6-9,11H2,1-3H3
InChIKeyXAPNZMQUMHOXDT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds3

About (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 103863563) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID103863563
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cc(O)ccc1C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-17-6-8-18(9-7-17)16(20)15-5-4-14(19)10-13(15)3/h4-5,10,12,19H,6-9,11H2,1-3H3
InChIKeyXAPNZMQUMHOXDT-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 107671430
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674352

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 103863563) is (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is Cc1cc(O)ccc1C(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is XAPNZMQUMHOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)11-17-6-8-18(9-7-17)16(20)15-5-4-14(19)10-13(15)3/h4-5,10,12,19H,6-9,11H2,1-3H3.
What are the key properties of (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 103863563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).