4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid

C8H14F2N2O2 — CID 131987291

IUPAC4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid
SMILESNCCC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C8H14F2N2O2/c9-8(10)5-12(7(13)14)4-2-6(8)1-3-11/h6H,1-5,11H2,(H,13,14)
InChIKeyWWHFCYMTAFYWQY-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.97
Rot. Bonds2

About 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid

4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid (PubChem CID 131987291) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid
PubChem CID131987291
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid
SMILESNCCC1CCN(C(=O)O)CC1(F)F
InChIInChI=1S/C8H14F2N2O2/c9-8(10)5-12(7(13)14)4-2-6(8)1-3-11/h6H,1-5,11H2,(H,13,14)
InChIKeyWWHFCYMTAFYWQY-UHFFFAOYSA-N
XLogP0.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid (CID 131987291) is 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid is NCCC1CCN(C(=O)O)CC1(F)F.
What is the InChIKey of 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid?
The InChIKey is WWHFCYMTAFYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10)5-12(7(13)14)4-2-6(8)1-3-11/h6H,1-5,11H2,(H,13,14).
What are the key properties of 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid?
4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,3-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 131987291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).