(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid

C13H16FNO2 — CID 10657508

IUPAC(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccc(F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16FNO2/c14-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyWLXQOAGMYPRJAQ-RYUDHWBXSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid

(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid (PubChem CID 10657508) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
PubChem CID10657508
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
SMILESO=C(O)[C@@H](c1ccc(F)cc1)[C@@H]1CCCCN1
InChIInChI=1S/C13H16FNO2/c14-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyWLXQOAGMYPRJAQ-RYUDHWBXSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-aminophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10799703
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
2-(2-methylphenyl)-2-piperidin-2-ylacetic acid
CID 155433521
(2S)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetamide
CID 10540299
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
2-(4-fluorophenyl)-2-(oxan-4-yl)acetic acid
CID 82388803
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 125151598
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid (CID 10657508) is (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid is O=C(O)[C@@H](c1ccc(F)cc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid?
The InChIKey is WLXQOAGMYPRJAQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8H2,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid?
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid has a molecular weight of 237.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid is sourced from PubChem (CID 10657508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).