4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid

C12H20F3NO2 — CID 64566328

IUPAC4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-11(10(17)18)4-7-16(8-5-11)9-6-12(13,14)15/h2-9H2,1H3,(H,17,18)
InChIKeyAMIPLQYXYXJAHT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.91
Rot. Bonds5

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

4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (PubChem CID 64566328) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
PubChem CID64566328
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-3-11(10(17)18)4-7-16(8-5-11)9-6-12(13,14)15/h2-9H2,1H3,(H,17,18)
InChIKeyAMIPLQYXYXJAHT-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylsulfonylethyl)-4-propylpiperidine-4-carboxylic acid
CID 106727522
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126994
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
3-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 63148391
1-[2-(2-methylpropylamino)-2-oxoethyl]-4-propylpiperidine-4-carboxylic acid
CID 63126933
1-(5-cyano-5-methylhexyl)-3-propylpyrrolidine-3-carboxylic acid
CID 106713211

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (CID 64566328) is 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The InChIKey is AMIPLQYXYXJAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-3-11(10(17)18)4-7-16(8-5-11)9-6-12(13,14)15/h2-9H2,1H3,(H,17,18).
What are the key properties of 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 64566328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).