3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid

C15H20FNO2 — CID 62217691

IUPAC3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-5-3-4-12(10-13)11-17-9-2-1-6-14(17)7-8-15(18)19/h3-5,10,14H,1-2,6-9,11H2,(H,18,19)
InChIKeySHDULQKSNMFSMH-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.05
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid

3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 62217691) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
PubChem CID62217691
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-5-3-4-12(10-13)11-17-9-2-1-6-14(17)7-8-15(18)19/h3-5,10,14H,1-2,6-9,11H2,(H,18,19)
InChIKeySHDULQKSNMFSMH-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
3-[3-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758596
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 65062672
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95138127

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid (CID 62217691) is 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1Cc1cccc(F)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is SHDULQKSNMFSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-5-3-4-12(10-13)11-17-9-2-1-6-14(17)7-8-15(18)19/h3-5,10,14H,1-2,6-9,11H2,(H,18,19).
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid?
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).