(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid

C13H15Cl2NO2 — CID 93297834

IUPAC(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)8-9)12(13(17)18)16-6-2-1-3-7-16/h4-5,8,12H,1-3,6-7H2,(H,17,18)/t12-/m1/s1
InChIKeyDHWQRWLBQISUPU-GFCCVEGCSA-N
MW288.17 g/mol
LogP3.61
Rot. Bonds3

About (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid

(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid (PubChem CID 93297834) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
PubChem CID93297834
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)8-9)12(13(17)18)16-6-2-1-3-7-16/h4-5,8,12H,1-3,6-7H2,(H,17,18)/t12-/m1/s1
InChIKeyDHWQRWLBQISUPU-GFCCVEGCSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,4-dichlorophenyl)acetic acid
CID 72936573
2-(azepan-1-yl)-2-(2-bromo-5-chlorophenyl)acetic acid
CID 66157283
2-(2-bromo-5-chlorophenyl)-2-piperidin-1-ylacetic acid
CID 66157085
propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
CID 97355454
2-(5-chloro-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42650356
2-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)acetic acid
CID 138045825
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
CID 3543654
2-(azepan-1-yl)-2-(3-bromo-4-fluorophenyl)acetic acid
CID 54914626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid?
The IUPAC name of (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid (CID 93297834) is (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid is O=C(O)[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid?
The InChIKey is DHWQRWLBQISUPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)8-9)12(13(17)18)16-6-2-1-3-7-16/h4-5,8,12H,1-3,6-7H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid?
(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid has a molecular weight of 288.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 93297834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).