4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid

C14H25NO3 — CID 90418942

IUPAC4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
SMILESC=CCCC1(O)CCN(C(=O)O)C(C(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-6-7-14(18)8-9-15(12(16)17)11(10-14)13(2,3)4/h5,11,18H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyHBRZSHAQHJDNEQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.87
Rot. Bonds3

About 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid

4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 90418942) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
PubChem CID90418942
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
SMILESC=CCCC1(O)CCN(C(=O)O)C(C(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-5-6-7-14(18)8-9-15(12(16)17)11(10-14)13(2,3)4/h5,11,18H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyHBRZSHAQHJDNEQ-UHFFFAOYSA-N
XLogP2.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid (CID 90418942) is 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid is C=CCCC1(O)CCN(C(=O)O)C(C(C)(C)C)C1.
What is the InChIKey of 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is HBRZSHAQHJDNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-7-14(18)8-9-15(12(16)17)11(10-14)13(2,3)4/h5,11,18H,1,6-10H2,2-4H3,(H,16,17).
What are the key properties of 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid?
4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 90418942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).