(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid

C14H19NO3 — CID 40787042

IUPAC(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)13(14(16)17)15-9-3-2-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyCBMNAADKSPPWGJ-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds4

About (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid

(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid (PubChem CID 40787042) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
PubChem CID40787042
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCCCC2)cc1
InChIInChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)13(14(16)17)15-9-3-2-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyCBMNAADKSPPWGJ-CYBMUJFWSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
CID 97455871
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
2-(1,4-diazepan-1-yl)-2-(4-propan-2-yloxyphenyl)acetic acid
CID 60994101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid (CID 40787042) is (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid is COc1ccc([C@H](C(=O)O)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid?
The InChIKey is CBMNAADKSPPWGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-7-5-11(6-8-12)13(14(16)17)15-9-3-2-4-10-15/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid?
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 40787042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).