4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid

C10H14F3NO3 — CID 141414926

IUPAC4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid
SMILESC=C(CC1(O)CCN(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-7(10(11,12)13)6-9(17)2-4-14(5-3-9)8(15)16/h17H,1-6H2,(H,15,16)
InChIKeyDFZZSKIODQZTHL-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.00
Rot. Bonds2

About 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid

4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid (PubChem CID 141414926) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid
PubChem CID141414926
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid
SMILESC=C(CC1(O)CCN(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-7(10(11,12)13)6-9(17)2-4-14(5-3-9)8(15)16/h17H,1-6H2,(H,15,16)
InChIKeyDFZZSKIODQZTHL-UHFFFAOYSA-N
XLogP2.00
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
4-(bromomethyl)-4-fluoropiperidine-1-carboxylic acid
CID 161175898
2,2-difluoro-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 130681789
3-bromo-1,1,1-trifluoropropan-2-one;tert-butyl 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol;4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol
CID 160818700
4-(chloromethyl)piperidine-1,4-dicarboxylic acid
CID 123497269
4-fluoro-4-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylic acid
CID 170164780
4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 174427602
2-[4-hydroxy-1-(1,1,1-trichloro-2-methylpropan-2-yl)oxycarbonylpiperidin-4-yl]acetic acid
CID 175698723
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
CID 175280270
4-(chloromethyl)-4-formylpiperidine-1-carboxylic acid
CID 87387809

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid (CID 141414926) is 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid is C=C(CC1(O)CCN(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid?
The InChIKey is DFZZSKIODQZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-7(10(11,12)13)6-9(17)2-4-14(5-3-9)8(15)16/h17H,1-6H2,(H,15,16).
What are the key properties of 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid?
4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[2-(trifluoromethyl)prop-2-enyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141414926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).