(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H23N3O2 — CID 107074618

IUPAC(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-11(2)10-17-5-7-18(8-6-17)15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,5-8,10,16H2,1-2H3
InChIKeyKZYQSDRUFZMIPH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds3

About (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 107074618) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID107074618
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc(O)ccc2N)CC1
InChIInChI=1S/C15H23N3O2/c1-11(2)10-17-5-7-18(8-6-17)15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,5-8,10,16H2,1-2H3
InChIKeyKZYQSDRUFZMIPH-UHFFFAOYSA-N
XLogP1.39
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
(3-amino-2,5-difluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107120733
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
(2-amino-5-hydroxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107075240
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 107074618) is (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc(O)ccc2N)CC1.
What is the InChIKey of (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is KZYQSDRUFZMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)10-17-5-7-18(8-6-17)15(20)13-9-12(19)3-4-14(13)16/h3-4,9,11,19H,5-8,10,16H2,1-2H3.
What are the key properties of (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 107074618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).