3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid

C15H22N2O2 — CID 174846215

IUPAC3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid
SMILESCC(C)(Cc1ccccc1)C1CN(C(=O)O)CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,10-12-6-4-3-5-7-12)13-11-17(14(18)19)9-8-16-13/h3-7,13,16H,8-11H2,1-2H3,(H,18,19)
InChIKeyCXODEQFBQHHXSE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid

3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid (PubChem CID 174846215) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid
PubChem CID174846215
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid
SMILESCC(C)(Cc1ccccc1)C1CN(C(=O)O)CCN1
InChIInChI=1S/C15H22N2O2/c1-15(2,10-12-6-4-3-5-7-12)13-11-17(14(18)19)9-8-16-13/h3-7,13,16H,8-11H2,1-2H3,(H,18,19)
InChIKeyCXODEQFBQHHXSE-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
3-[hydroxy(diphenyl)methyl]piperazine-1-carboxylic acid
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2-(2-fluoro-1-phenylpropan-2-yl)piperidine
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CID 94985339
2-(4-benzylpiperazin-2-yl)propan-2-ol
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1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
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(3R)-3-[2-(2-fluoroanilino)ethyl]piperazine-1-carboxylic acid
CID 68989804
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
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3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid (CID 174846215) is 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid is CC(C)(Cc1ccccc1)C1CN(C(=O)O)CCN1.
What is the InChIKey of 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid?
The InChIKey is CXODEQFBQHHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,10-12-6-4-3-5-7-12)13-11-17(14(18)19)9-8-16-13/h3-7,13,16H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid?
3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-phenylpropan-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 174846215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).