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

C16H30N2O2 — CID 68668122

IUPAC2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-5-8-17(9-6-12)13-7-10-18(15(19)20)14(11-13)16(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyHFSOAMRWOMNGSS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.28
Rot. Bonds1

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

2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 68668122) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID68668122
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-12-5-8-17(9-6-12)13-7-10-18(15(19)20)14(11-13)16(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,20)
InChIKeyHFSOAMRWOMNGSS-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 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid (CID 68668122) is 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid is CC1CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1.
What is the InChIKey of 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is HFSOAMRWOMNGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-8-17(9-6-12)13-7-10-18(15(19)20)14(11-13)16(2,3)4/h12-14H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid?
2-tert-butyl-4-(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 2-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68668122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).