4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid

C14H18FNO3 — CID 67299829

IUPAC4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCC1(O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-13(2)9-16(12(17)18)8-7-14(13,19)10-3-5-11(15)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,17,18)
InChIKeyTZAXNRFEHXMGPE-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.42
Rot. Bonds1

About 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid

4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid (PubChem CID 67299829) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
PubChem CID67299829
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCC1(O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-13(2)9-16(12(17)18)8-7-14(13,19)10-3-5-11(15)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,17,18)
InChIKeyTZAXNRFEHXMGPE-UHFFFAOYSA-N
XLogP2.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid (CID 67299829) is 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid is CC1(C)CN(C(=O)O)CCC1(O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid?
The InChIKey is TZAXNRFEHXMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-13(2)9-16(12(17)18)8-7-14(13,19)10-3-5-11(15)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid?
4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 67299829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).