1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid

C9H14F3NO3 — CID 63900261

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-3-1-6(2-4-13)8(15)16/h6-7,14H,1-5H2,(H,15,16)
InChIKeyDPUODCLXJNGVRU-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.71
Rot. Bonds3

About 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid

1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid (PubChem CID 63900261) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
PubChem CID63900261
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-3-1-6(2-4-13)8(15)16/h6-7,14H,1-5H2,(H,15,16)
InChIKeyDPUODCLXJNGVRU-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyano-3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 103371482
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]piperidine-4-carboxylic acid
CID 129236518
N-cyclobutyl-N-[(4S)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azepan-4-yl]acetamide
CID 129330933
1-(3,3,3-trifluoro-2-hydroxypropyl)azepane-2-carboxylic acid
CID 64562379
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]ethanone
CID 63901490
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid (CID 63900261) is 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid?
The InChIKey is DPUODCLXJNGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(14)5-13-3-1-6(2-4-13)8(15)16/h6-7,14H,1-5H2,(H,15,16).
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid?
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63900261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).