4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid

C16H25N3O2 — CID 175741805

IUPAC4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(N)c2ccccc2)CCN1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-16(2,3)13-11-18(9-10-19(13)15(20)21)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,20,21)
InChIKeyYZUVMWXQDAKIBD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.35
Rot. Bonds2

About 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid

4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid (PubChem CID 175741805) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
PubChem CID175741805
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(C(N)c2ccccc2)CCN1C(=O)O
InChIInChI=1S/C16H25N3O2/c1-16(2,3)13-11-18(9-10-19(13)15(20)21)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,20,21)
InChIKeyYZUVMWXQDAKIBD-UHFFFAOYSA-N
XLogP2.35
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid 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

2-tert-butyl-4-[cyano(phenyl)methyl]piperazine-1-carboxylate
CID 53432664
2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
CID 69091830
2-[1-[amino(hydroxy)methyl]piperidin-4-yl]-1-[2-tert-butyl-4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 142220252
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 141407714
(2S)-2-tert-butyl-4-[(4-tert-butylphenyl)-phenylmethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 71040753
(2S)-4-(2,2-dimethyl-1-phenylpropyl)-2-(2-oxoethyl)piperazine-1-carboxylic acid
CID 87323947
(2R)-4-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-2-methylpiperazine-1-carboxylic acid
CID 68913078
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 142220141
(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
CID 176877463
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 20794644
5-[2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-3-[2-(methylamino)ethyl]-5-oxopentanamide
CID 142219993
(2S)-N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 10030706

Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid (CID 175741805) is 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid is CC(C)(C)C1CN(C(N)c2ccccc2)CCN1C(=O)O.
What is the InChIKey of 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid?
The InChIKey is YZUVMWXQDAKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)13-11-18(9-10-19(13)15(20)21)14(17)12-7-5-4-6-8-12/h4-8,13-14H,9-11,17H2,1-3H3,(H,20,21).
What are the key properties of 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid?
4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175741805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).