3-(4-tert-butylpiperidin-1-yl)pentanoic acid

C14H27NO2 — CID 63067950

IUPAC3-(4-tert-butylpiperidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(10-13(16)17)15-8-6-11(7-9-15)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyASNZWANQBPQMNL-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds4

About 3-(4-tert-butylpiperidin-1-yl)pentanoic acid

3-(4-tert-butylpiperidin-1-yl)pentanoic acid (PubChem CID 63067950) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)pentanoic acid
PubChem CID63067950
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-(4-tert-butylpiperidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(10-13(16)17)15-8-6-11(7-9-15)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyASNZWANQBPQMNL-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)pentanoic acid (CID 63067950) is 3-(4-tert-butylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)pentanoic acid is CCC(CC(=O)O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)pentanoic acid?
The InChIKey is ASNZWANQBPQMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-12(10-13(16)17)15-8-6-11(7-9-15)14(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)pentanoic acid?
3-(4-tert-butylpiperidin-1-yl)pentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 63067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).