2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid

C19H21NO2 — CID 91550438

IUPAC2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1
InChIInChI=1S/C19H21NO2/c21-19(22)18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2,(H,21,22)/t17-,18?/m0/s1
InChIKeyBGUOCOOYWWYJRK-ZENAZSQFSA-N
MW295.38 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid

2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid (PubChem CID 91550438) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
PubChem CID91550438
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid
SMILESO=C(O)C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1
InChIInChI=1S/C19H21NO2/c21-19(22)18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2,(H,21,22)/t17-,18?/m0/s1
InChIKeyBGUOCOOYWWYJRK-ZENAZSQFSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
2-(2-chlorophenyl)-2-pyrrolidin-3-ylacetic acid
CID 82388192
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 69302616
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid?
The IUPAC name of 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid (CID 91550438) is 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid?
The canonical SMILES for 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid is O=C(O)C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCNC1.
What is the InChIKey of 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid?
The InChIKey is BGUOCOOYWWYJRK-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2,(H,21,22)/t17-,18?/m0/s1.
What are the key properties of 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid?
2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-2-[(3R)-piperidin-3-yl]acetic acid is sourced from PubChem (CID 91550438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).