2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one

C15H23N3O2 — CID 39284519

IUPAC2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCN(c1ccc(O)cc1)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-15(2,14(20)18-10-8-16-9-11-18)17(3)12-4-6-13(19)7-5-12/h4-7,16,19H,8-11H2,1-3H3
InChIKeyFYNMRCCIXKKQCV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds3

About 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one

2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39284519) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID39284519
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCN(c1ccc(O)cc1)C(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-15(2,14(20)18-10-8-16-9-11-18)17(3)12-4-6-13(19)7-5-12/h4-7,16,19H,8-11H2,1-3H3
InChIKeyFYNMRCCIXKKQCV-UHFFFAOYSA-N
XLogP1.04
TPSA55.81 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284199
1-ethyl-1-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)urea
CID 82511597
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
CID 115171510
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
CID 57366155
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
CID 91520427
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one (CID 39284519) is 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one is CN(c1ccc(O)cc1)C(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is FYNMRCCIXKKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,14(20)18-10-8-16-9-11-18)17(3)12-4-6-13(19)7-5-12/h4-7,16,19H,8-11H2,1-3H3.
What are the key properties of 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-methylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39284519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).