2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid

C19H24N2O2 — CID 69091830

IUPAC2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(c2cccc3ccccc23)CCN1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-19(2,3)17-13-20(11-12-21(17)18(22)23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13H2,1-3H3,(H,22,23)
InChIKeyNXBMBBTWMVPFEF-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.05
Rot. Bonds1

About 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid

2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid (PubChem CID 69091830) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
PubChem CID69091830
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid
SMILESCC(C)(C)C1CN(c2cccc3ccccc23)CCN1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-19(2,3)17-13-20(11-12-21(17)18(22)23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13H2,1-3H3,(H,22,23)
InChIKeyNXBMBBTWMVPFEF-UHFFFAOYSA-N
XLogP4.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(7-hydroxyquinolin-4-yl)piperazine-1-carboxylic acid
CID 175817762
azane;2-tert-butyl-4-(5-phenyl-1H-pyrazol-4-yl)piperazine-1-carboxylic acid
CID 69084726
4-[3-(2-bromoacetyl)phenyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 172849087
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 141407714
4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175741805
methyl 4-(2-aminophenyl)-2-tert-butylpiperazine-1-carboxylate
CID 175146151
2-methyl-5-naphthalen-1-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345654
ethyl-(4-naphthalen-1-ylpiperazin-1-yl)carbamic acid
CID 174501263
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 67245808
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978
1-tert-butyl-4-quinolin-5-ylpiperazine-2-carboxylic acid
CID 18414109
2-tert-butyl-4-(3,4-difluorophenyl)-1,4-diazepane-1-carboxylic acid
CID 155229608

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid (CID 69091830) is 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid is CC(C)(C)C1CN(c2cccc3ccccc23)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid?
The InChIKey is NXBMBBTWMVPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)17-13-20(11-12-21(17)18(22)23)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,17H,11-13H2,1-3H3,(H,22,23).
What are the key properties of 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid?
2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-naphthalen-1-ylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69091830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).