3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid

C9H16F2N2O2 — CID 131988914

IUPAC3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid
SMILESNCCCC1CN(C(=O)O)CCC1(F)F
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-5-13(8(14)15)6-7(9)2-1-4-12/h7H,1-6,12H2,(H,14,15)
InChIKeyADTUJQJRIKNSJZ-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.36
Rot. Bonds3

About 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid

3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid (PubChem CID 131988914) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid
PubChem CID131988914
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid
SMILESNCCCC1CN(C(=O)O)CCC1(F)F
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-5-13(8(14)15)6-7(9)2-1-4-12/h7H,1-6,12H2,(H,14,15)
InChIKeyADTUJQJRIKNSJZ-UHFFFAOYSA-N
XLogP1.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid (CID 131988914) is 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid is NCCCC1CN(C(=O)O)CCC1(F)F.
What is the InChIKey of 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid?
The InChIKey is ADTUJQJRIKNSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11)3-5-13(8(14)15)6-7(9)2-1-4-12/h7H,1-6,12H2,(H,14,15).
What are the key properties of 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid?
3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid has a molecular weight of 222.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-4,4-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 131988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).