2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

C18H25NO3 — CID 172689101

IUPAC2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)C1CC2(CCN1C(=O)O)c1ccccc1CC2O
InChIInChI=1S/C18H25NO3/c1-17(2,3)14-11-18(8-9-19(14)16(21)22)13-7-5-4-6-12(13)10-15(18)20/h4-7,14-15,20H,8-11H2,1-3H3,(H,21,22)
InChIKeyBKVXLDSPGZXKIJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.03
Rot. Bonds

About 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid

2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 172689101) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
PubChem CID172689101
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)C1CC2(CCN1C(=O)O)c1ccccc1CC2O
InChIInChI=1S/C18H25NO3/c1-17(2,3)14-11-18(8-9-19(14)16(21)22)13-7-5-4-6-12(13)10-15(18)20/h4-7,14-15,20H,8-11H2,1-3H3,(H,21,22)
InChIKeyBKVXLDSPGZXKIJ-UHFFFAOYSA-N
XLogP3.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-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

9H-fluoren-9-ylmethyl 4-hydroxypiperidine-1-carboxylate
CID 1502083
(9H-fluoren-9-yl)methyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
1'-[(Methylthio)acetyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56914770
N-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]urea
CID 56917337
1-Piperidinecarboxylic acid, 3-hydroxy-, 9H-fluoren-9-ylmethyl ester, (3S)-
CID 72942464
(9H-Fluoren-9-yl)methyl 2-(hydroxymethyl)piperidine-1-carboxylate
CID 18915804
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97281997
ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
CID 58951022
2-Tert-butyl-4-[[2-(2-fluoropropan-2-yl)phenyl]-hydroxymethyl]piperidine-1-carboxylic acid
CID 68786535
(3R,4R)-2-tert-butyl-4-(4-fluorophenyl)-3-hydroxypiperidine-1-carboxylic acid
CID 89714281
2-Tert-butyl-4-(4-fluorophenyl)-3-hydroxypiperidine-1-carboxylic acid
CID 117737923
2-Tert-butyl-4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 142743964

Frequently Asked Questions

What is the IUPAC name of 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid (CID 172689101) is 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is CC(C)(C)C1CC2(CCN1C(=O)O)c1ccccc1CC2O.
What is the InChIKey of 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is BKVXLDSPGZXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2,3)14-11-18(8-9-19(14)16(21)22)13-7-5-4-6-12(13)10-15(18)20/h4-7,14-15,20H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid?
2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butyl-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 172689101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).