4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C14H24FNO4 — CID 81113399

IUPAC4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)CC1
InChIInChI=1S/C14H24FNO4/c1-13(2,3)20-12(19)16-9-6-14(7-10-16,11(17)18)5-4-8-15/h4-10H2,1-3H3,(H,17,18)
InChIKeyKUSNQYKKEFRDIQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.84
Rot. Bonds4

About 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 81113399) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID81113399
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)CC1
InChIInChI=1S/C14H24FNO4/c1-13(2,3)20-12(19)16-9-6-14(7-10-16,11(17)18)5-4-8-15/h4-10H2,1-3H3,(H,17,18)
InChIKeyKUSNQYKKEFRDIQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 81113399) is 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCCF)(C(=O)O)CC1.
What is the InChIKey of 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is KUSNQYKKEFRDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-13(2,3)20-12(19)16-9-6-14(7-10-16,11(17)18)5-4-8-15/h4-10H2,1-3H3,(H,17,18).
What are the key properties of 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 289.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 81113399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).