(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid

C13H17NO2 — CID 10922012

IUPAC(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyINGSNVSERUZOAK-VXGBXAGGSA-N
MW219.28 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid

(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid (PubChem CID 10922012) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid
PubChem CID10922012
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid
SMILESO=C(O)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyINGSNVSERUZOAK-VXGBXAGGSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid (CID 10922012) is (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid is O=C(O)[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid?
The InChIKey is INGSNVSERUZOAK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid?
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid is sourced from PubChem (CID 10922012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).