4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid

C7H10FNO4 — CID 175765510

IUPAC4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid
SMILES[2H]OC(=O)C1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13)/i/hD
InChIKeyUJEDUDPNZYSQKQ-DYCDLGHISA-N
MW192.16 g/mol
LogP0.55
Rot. Bonds1

About 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid

4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid (PubChem CID 175765510) has the molecular formula C7H10FNO4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid
PubChem CID175765510
Molecular FormulaC7H10FNO4
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid
SMILES[2H]OC(=O)C1(F)CCN(C(=O)O)CC1
InChIInChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13)/i/hD
InChIKeyUJEDUDPNZYSQKQ-DYCDLGHISA-N
XLogP0.55
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid (CID 175765510) is 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid is [2H]OC(=O)C1(F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid?
The InChIKey is UJEDUDPNZYSQKQ-DYCDLGHISA-N. The full InChI is InChI=1S/C7H10FNO4/c8-7(5(10)11)1-3-9(4-2-7)6(12)13/h1-4H2,(H,10,11)(H,12,13)/i/hD.
What are the key properties of 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid?
4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid has a molecular weight of 192.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuteriooxycarbonyl-4-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175765510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).