tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate

C16H24N2O3 — CID 69243250

IUPACtert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
SMILESCc1c(O)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-12-13(6-5-7-14(12)19)17-8-10-18(11-9-17)15(20)21-16(2,3)4/h5-7,19H,8-11H2,1-4H3
InChIKeyAKHCXILFANVXOI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds1

About tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate

tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate (PubChem CID 69243250) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
PubChem CID69243250
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
SMILESCc1c(O)cccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H24N2O3/c1-12-13(6-5-7-14(12)19)17-8-10-18(11-9-17)15(20)21-16(2,3)4/h5-7,19H,8-11H2,1-4H3
InChIKeyAKHCXILFANVXOI-UHFFFAOYSA-N
XLogP2.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
CID 69420021
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 4-(3-bromo-2-fluorophenyl)piperazine-1-carboxylate
CID 170163901
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate (CID 69243250) is tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate is Cc1c(O)cccc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate?
The InChIKey is AKHCXILFANVXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-13(6-5-7-14(12)19)17-8-10-18(11-9-17)15(20)21-16(2,3)4/h5-7,19H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate?
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 69243250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).