4-(3,3-difluoropropyl)piperidine-2-carboxylic acid

C9H15F2NO2 — CID 21076021

IUPAC4-(3,3-difluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CCN1
InChIInChI=1S/C9H15F2NO2/c10-8(11)2-1-6-3-4-12-7(5-6)9(13)14/h6-8,12H,1-5H2,(H,13,14)
InChIKeyKKMDPRWVWRXPLL-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.48
Rot. Bonds4

About 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid

4-(3,3-difluoropropyl)piperidine-2-carboxylic acid (PubChem CID 21076021) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)piperidine-2-carboxylic acid
PubChem CID21076021
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4-(3,3-difluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CCN1
InChIInChI=1S/C9H15F2NO2/c10-8(11)2-1-6-3-4-12-7(5-6)9(13)14/h6-8,12H,1-5H2,(H,13,14)
InChIKeyKKMDPRWVWRXPLL-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid (CID 21076021) is 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid is O=C(O)C1CC(CCC(F)F)CCN1.
What is the InChIKey of 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid?
The InChIKey is KKMDPRWVWRXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)2-1-6-3-4-12-7(5-6)9(13)14/h6-8,12H,1-5H2,(H,13,14).
What are the key properties of 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid?
4-(3,3-difluoropropyl)piperidine-2-carboxylic acid has a molecular weight of 207.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 21076021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).