1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid

C10H13F3N2O2 — CID 103371482

IUPAC1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESN#CC(CN1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)8(5-14)6-15-3-1-7(2-4-15)9(16)17/h7-8H,1-4,6H2,(H,16,17)
InChIKeyGFWDIYSNEGBBKP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid

1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (PubChem CID 103371482) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
PubChem CID103371482
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESN#CC(CN1CCC(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)8(5-14)6-15-3-1-7(2-4-15)9(16)17/h7-8H,1-4,6H2,(H,16,17)
InChIKeyGFWDIYSNEGBBKP-UHFFFAOYSA-N
XLogP1.49
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261
2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103371723
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]piperidine-4-carboxylic acid
CID 129236518
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
CID 122035694
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
1-(2-cyano-3,3,3-trifluoropropyl)-2,3-dihydroindole-3-carboxylic acid
CID 103371584
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (CID 103371482) is 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is N#CC(CN1CCC(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The InChIKey is GFWDIYSNEGBBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)8(5-14)6-15-3-1-7(2-4-15)9(16)17/h7-8H,1-4,6H2,(H,16,17).
What are the key properties of 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid has a molecular weight of 250.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103371482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).