2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid

C16H23ClN2O2 — CID 67369153

IUPAC2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(Nc2ccc(Cl)cc2)CCN1C(=O)O
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)14-10-13(8-9-19(14)15(20)21)18-12-6-4-11(17)5-7-12/h4-7,13-14,18H,8-10H2,1-3H3,(H,20,21)
InChIKeyUGDWBEUYKYTKJU-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.31
Rot. Bonds2

About 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid

2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid (PubChem CID 67369153) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid
PubChem CID67369153
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(Nc2ccc(Cl)cc2)CCN1C(=O)O
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)14-10-13(8-9-19(14)15(20)21)18-12-6-4-11(17)5-7-12/h4-7,13-14,18H,8-10H2,1-3H3,(H,20,21)
InChIKeyUGDWBEUYKYTKJU-UHFFFAOYSA-N
XLogP4.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(3-nitroanilino)piperidine-1-carboxylic acid
CID 174782426
2-tert-butyl-4-(3,4-dichlorophenoxy)piperidine-1-carboxylic acid
CID 69159589
2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 158701552
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
2-tert-butyl-3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69200982
2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid (CID 67369153) is 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid is CC(C)(C)C1CC(Nc2ccc(Cl)cc2)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid?
The InChIKey is UGDWBEUYKYTKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)14-10-13(8-9-19(14)15(20)21)18-12-6-4-11(17)5-7-12/h4-7,13-14,18H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid?
2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid has a molecular weight of 310.82 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-chloroanilino)piperidine-1-carboxylic acid is sourced from PubChem (CID 67369153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).