phenyl 2-amino-2-methylpiperazine-1-carboxylate

C12H17N3O2 — CID 69325233

IUPACphenyl 2-amino-2-methylpiperazine-1-carboxylate
SMILESCC1(N)CNCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-12(13)9-14-7-8-15(12)11(16)17-10-5-3-2-4-6-10/h2-6,14H,7-9,13H2,1H3
InChIKeyHISLSXFUPJFWFB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.77
Rot. Bonds1

About phenyl 2-amino-2-methylpiperazine-1-carboxylate

phenyl 2-amino-2-methylpiperazine-1-carboxylate (PubChem CID 69325233) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is phenyl 2-amino-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-amino-2-methylpiperazine-1-carboxylate
PubChem CID69325233
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namephenyl 2-amino-2-methylpiperazine-1-carboxylate
SMILESCC1(N)CNCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-12(13)9-14-7-8-15(12)11(16)17-10-5-3-2-4-6-10/h2-6,14H,7-9,13H2,1H3
InChIKeyHISLSXFUPJFWFB-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze phenyl 2-amino-2-methylpiperazine-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

1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
phenyl 2,3,5,8-tetrahydro-1H-1,4-diazocine-4-carboxylate
CID 123797784
benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 78357894
diphenyl diazinane-1,2-dicarboxylate
CID 139696788
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998
phenyl 3-methylidenepyrrolidine-1-carboxylate
CID 141203105
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 2-oxo-1,3-diazepane-1-carboxylate
CID 58856696
phenyl 2-sulfanylideneimidazolidine-1-carboxylate
CID 139667776
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
2,2-dipyridin-2-ylpiperazine-1-carboxamide
CID 175910325

Frequently Asked Questions

What is the IUPAC name of phenyl 2-amino-2-methylpiperazine-1-carboxylate?
The IUPAC name of phenyl 2-amino-2-methylpiperazine-1-carboxylate (CID 69325233) is phenyl 2-amino-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for phenyl 2-amino-2-methylpiperazine-1-carboxylate?
The canonical SMILES for phenyl 2-amino-2-methylpiperazine-1-carboxylate is CC1(N)CNCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-amino-2-methylpiperazine-1-carboxylate?
The InChIKey is HISLSXFUPJFWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(13)9-14-7-8-15(12)11(16)17-10-5-3-2-4-6-10/h2-6,14H,7-9,13H2,1H3.
What are the key properties of phenyl 2-amino-2-methylpiperazine-1-carboxylate?
phenyl 2-amino-2-methylpiperazine-1-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-amino-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 69325233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).