4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid

C15H28N2O2 — CID 68668509

IUPAC4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)N1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)17-10-6-13(7-11-17)12-4-8-16(9-5-12)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyLORSWTSSXDRXRJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.89
Rot. Bonds1

About 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid

4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid (PubChem CID 68668509) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid
PubChem CID68668509
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid
SMILESCC(C)(C)N1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)17-10-6-13(7-11-17)12-4-8-16(9-5-12)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyLORSWTSSXDRXRJ-UHFFFAOYSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-tert-butylpiperidin-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid (CID 68668509) is 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid is CC(C)(C)N1CCC(C2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
The InChIKey is LORSWTSSXDRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)17-10-6-13(7-11-17)12-4-8-16(9-5-12)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid?
4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68668509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).