(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid

C14H19NO2 — CID 1091381

IUPAC(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
SMILESC[C@@H]1CCCCN1[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11-7-5-6-10-15(11)13(14(16)17)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyPIIALDQBBNGPDU-DGCLKSJQSA-N
MW233.31 g/mol
LogP2.69
Rot. Bonds3

About (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid

(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid (PubChem CID 1091381) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
PubChem CID1091381
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
SMILESC[C@@H]1CCCCN1[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11-7-5-6-10-15(11)13(14(16)17)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyPIIALDQBBNGPDU-DGCLKSJQSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 82345110
2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84751470
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 84748280
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177
N-(2-methoxy-5-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-phenylacetamide
CID 3636513
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
2-[(2-methylpiperidin-1-yl)-phenylmethyl]-1,3-diphenyl-1,3,2λ5-diazaphospholidine 2-oxide
CID 130439072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid (CID 1091381) is (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid is C[C@@H]1CCCCN1[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid?
The InChIKey is PIIALDQBBNGPDU-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-5-6-10-15(11)13(14(16)17)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,16,17)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid?
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 1091381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).