tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate

C17H26N2O3 — CID 54425425

IUPACtert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate
SMILESCc1ccc(C[C@@H]2CNCCN2C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C17H26N2O3/c1-12-5-6-13(10-15(12)20)9-14-11-18-7-8-19(14)16(21)22-17(2,3)4/h5-6,10,14,18,20H,7-9,11H2,1-4H3/t14-/m1/s1
InChIKeyWDSVIRKLXNHXRK-CQSZACIVSA-N
MW306.41 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate

tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate (PubChem CID 54425425) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate
PubChem CID54425425
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate
SMILESCc1ccc(C[C@@H]2CNCCN2C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C17H26N2O3/c1-12-5-6-13(10-15(12)20)9-14-11-18-7-8-19(14)16(21)22-17(2,3)4/h5-6,10,14,18,20H,7-9,11H2,1-4H3/t14-/m1/s1
InChIKeyWDSVIRKLXNHXRK-CQSZACIVSA-N
XLogP2.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methylphenyl]methyl]piperazine-1-carboxylate
CID 21077233
tert-butyl (2R)-2-[[3-[tert-butyl(dimethyl)silyl]oxy-4-chlorophenyl]methyl]piperazine-1-carboxylate
CID 69422296
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
CID 141100068
tert-butyl 2-[(5-chloro-1H-indol-2-yl)methyl]piperazine-1-carboxylate
CID 175814346
tert-butyl 2-[(3-hydroxy-4-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 107700259
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate (CID 54425425) is tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate is Cc1ccc(C[C@@H]2CNCCN2C(=O)OC(C)(C)C)cc1O.
What is the InChIKey of tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate?
The InChIKey is WDSVIRKLXNHXRK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-5-6-13(10-15(12)20)9-14-11-18-7-8-19(14)16(21)22-17(2,3)4/h5-6,10,14,18,20H,7-9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate?
tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 54425425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).