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

C9H14F3NO2 — CID 59333911

IUPAC1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)3-6-13-4-1-7(2-5-13)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyDULVSTXUHPAQEX-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.74
Rot. Bonds3

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

1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (PubChem CID 59333911) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
PubChem CID59333911
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)3-6-13-4-1-7(2-5-13)8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyDULVSTXUHPAQEX-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934
2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetic acid
CID 79605681
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 63900261
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 64565711

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid (CID 59333911) is 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
The InChIKey is DULVSTXUHPAQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)3-6-13-4-1-7(2-5-13)8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid?
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 59333911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).