2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid

C14H18FNO2 — CID 81358703

IUPAC2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c15-13(14(17)18)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18)
InChIKeyIRRCDDLJKYFNEI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.32
Rot. Bonds4

About 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid

2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid (PubChem CID 81358703) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
PubChem CID81358703
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c15-13(14(17)18)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18)
InChIKeyIRRCDDLJKYFNEI-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
N-[1-(1-benzylpiperidin-3-yl)ethyl]acetamide
CID 21041194
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
CID 105443609
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
3-[(1-benzylpiperidin-3-yl)amino]-2-methylbutanoic acid
CID 79396709
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid (CID 81358703) is 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid is O=C(O)C(F)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid?
The InChIKey is IRRCDDLJKYFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13(14(17)18)12-7-4-8-16(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,17,18).
What are the key properties of 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid?
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid has a molecular weight of 251.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81358703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).