2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid

C17H32N2O2 — CID 69362794

IUPAC2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(C)CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)14-12-13(6-9-19(14)15(20)21)18-10-7-17(4,5)8-11-18/h13-14H,6-12H2,1-5H3,(H,20,21)
InChIKeyRKRDLOASMPKFBS-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.67
Rot. Bonds1

About 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid

2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 69362794) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID69362794
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(C)CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)14-12-13(6-9-19(14)15(20)21)18-10-7-17(4,5)8-11-18/h13-14H,6-12H2,1-5H3,(H,20,21)
InChIKeyRKRDLOASMPKFBS-UHFFFAOYSA-N
XLogP3.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Dimethylethyl4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 86644806
2-Tert-butyl-4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 86644807
2-Tert-butyl-4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 87686889
4-(2-Tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 161292228
4-(5-Azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
CID 172761468
6-[Carboxy-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)carbamic acid
CID 21330418
Methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid
CID 22567769
2-Tert-butylpiperidine-1-carboxylic acid
CID 57266074
9-(4-Tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66700965
Tert-butyl-[1-(cyclohexylmethyl)piperidin-4-yl]carbamic acid
CID 67212244
4-(1,2,2,6,6-Pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 67216941
2-Tert-butyl-4-(piperidin-1-ylmethyl)piperidine-1-carboxylic acid
CID 67537691

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid (CID 69362794) is 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid is CC1(C)CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1.
What is the InChIKey of 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is RKRDLOASMPKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)14-12-13(6-9-19(14)15(20)21)18-10-7-17(4,5)8-11-18/h13-14H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid?
2-tert-butyl-4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 3.67, 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-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69362794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).