propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate

C16H21Cl2NO2 — CID 97355454

IUPACpropyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
SMILESCCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c1-2-10-21-16(20)15(19-8-4-3-5-9-19)13-7-6-12(17)11-14(13)18/h6-7,11,15H,2-5,8-10H2,1H3/t15-/m0/s1
InChIKeyULZPBJFEPSKMKF-HNNXBMFYSA-N
MW330.26 g/mol
LogP4.47
Rot. Bonds5

About propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate

propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate (PubChem CID 97355454) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.26 g/mol. Its IUPAC name is propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namepropyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
PubChem CID97355454
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.26 g/mol
Exact Mass329.09
IUPAC Namepropyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
SMILESCCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C16H21Cl2NO2/c1-2-10-21-16(20)15(19-8-4-3-5-9-19)13-7-6-12(17)11-14(13)18/h6-7,11,15H,2-5,8-10H2,1H3/t15-/m0/s1
InChIKeyULZPBJFEPSKMKF-HNNXBMFYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetic acid
CID 93297834
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201
ethyl 2-(4-chloro-2-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 114843687
[(2S)-butan-2-yl] (2R)-2-(2-chlorophenyl)-2-piperidin-1-ylacetate
CID 97355442
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,4-dichlorophenyl)acetic acid
CID 72936573
ethyl 2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 66158234
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
1-[1-(2,4-dichlorophenyl)propyl]piperidine-3-carboxylic acid
CID 3543654
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate?
The IUPAC name of propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate (CID 97355454) is propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate.
What is the SMILES notation for propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate?
The canonical SMILES for propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate is CCCOC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate?
The InChIKey is ULZPBJFEPSKMKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-2-10-21-16(20)15(19-8-4-3-5-9-19)13-7-6-12(17)11-14(13)18/h6-7,11,15H,2-5,8-10H2,1H3/t15-/m0/s1.
What are the key properties of propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate?
propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate has a molecular weight of 330.26 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate is sourced from PubChem (CID 97355454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).