1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid

C15H20FNO2 — CID 84751496

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-11(10-12-2-4-14(16)5-3-12)17-8-6-13(7-9-17)15(18)19/h2-5,11,13H,6-10H2,1H3,(H,18,19)
InChIKeyIAIFYFZFLBHOOM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid

1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid (PubChem CID 84751496) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
PubChem CID84751496
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
SMILESCC(Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-11(10-12-2-4-14(16)5-3-12)17-8-6-13(7-9-17)15(18)19/h2-5,11,13H,6-10H2,1H3,(H,18,19)
InChIKeyIAIFYFZFLBHOOM-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[1-(4-methylsulfanylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751499
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
1-[1-(2,3-dihydro-1H-indol-5-yl)propan-2-yl]piperidine-4-carboxylic acid
CID 82255857
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-(1-naphthalen-1-ylpropan-2-yl)piperidine-4-carboxylic acid
CID 84751503
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
1-[1-(4-fluorophenyl)propan-2-yl]-1,5-diazocane
CID 62992839
1-(4-oxo-4-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 82065309
1-[1-(5-chloro-2-hydroxyphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid (CID 84751496) is 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid is CC(Cc1ccc(F)cc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is IAIFYFZFLBHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11(10-12-2-4-14(16)5-3-12)17-8-6-13(7-9-17)15(18)19/h2-5,11,13H,6-10H2,1H3,(H,18,19).
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid?
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84751496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).