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

C16H30N2O2 — CID 131739763

IUPAC4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-10-18(14(11-12)16(2,3)4)13-6-8-17(9-7-13)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyFEZRPTVFBBHNJI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.28
Rot. Bonds1

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

4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 131739763) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID131739763
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-10-18(14(11-12)16(2,3)4)13-6-8-17(9-7-13)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyFEZRPTVFBBHNJI-UHFFFAOYSA-N
XLogP3.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid (CID 131739763) is 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid is CC1CCN(C2CCN(C(=O)O)CC2)C(C(C)(C)C)C1.
What is the InChIKey of 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is FEZRPTVFBBHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-10-18(14(11-12)16(2,3)4)13-6-8-17(9-7-13)15(19)20/h12-14H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methylpiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 131739763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).