(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate

C15H23N3O2 — CID 175011693

IUPAC(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate
SMILESCC(C)(COC(=O)N1CCNC(N)C1)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,12-6-4-3-5-7-12)11-20-14(19)18-9-8-17-13(16)10-18/h3-7,13,17H,8-11,16H2,1-2H3
InChIKeyLYMJSQPBIYDVBF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.29
Rot. Bonds3

About (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate

(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate (PubChem CID 175011693) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate
PubChem CID175011693
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate
SMILESCC(C)(COC(=O)N1CCNC(N)C1)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,12-6-4-3-5-7-12)11-20-14(19)18-9-8-17-13(16)10-18/h3-7,13,17H,8-11,16H2,1-2H3
InChIKeyLYMJSQPBIYDVBF-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
1-O-benzyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072569
1-O-benzyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;hydrochloride
CID 45072570
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate?
The IUPAC name of (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate (CID 175011693) is (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate.
What is the SMILES notation for (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate?
The canonical SMILES for (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate is CC(C)(COC(=O)N1CCNC(N)C1)c1ccccc1.
What is the InChIKey of (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate?
The InChIKey is LYMJSQPBIYDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,12-6-4-3-5-7-12)11-20-14(19)18-9-8-17-13(16)10-18/h3-7,13,17H,8-11,16H2,1-2H3.
What are the key properties of (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate?
(2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylpropyl) 3-aminopiperazine-1-carboxylate is sourced from PubChem (CID 175011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).