1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid

C11H19F2NO2 — CID 63127511

IUPAC1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)F)CC1
InChIInChI=1S/C11H19F2NO2/c1-2-3-11(10(15)16)4-6-14(7-5-11)8-9(12)13/h9H,2-8H2,1H3,(H,15,16)
InChIKeyLTZLSGHNUOSHJT-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.22
Rot. Bonds5

About 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid

1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63127511) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63127511
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(F)F)CC1
InChIInChI=1S/C11H19F2NO2/c1-2-3-11(10(15)16)4-6-14(7-5-11)8-9(12)13/h9H,2-8H2,1H3,(H,15,16)
InChIKeyLTZLSGHNUOSHJT-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid (CID 63127511) is 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LTZLSGHNUOSHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-3-11(10(15)16)4-6-14(7-5-11)8-9(12)13/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid?
1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).