propyl (2S)-2-phenyl-2-piperidin-1-ylacetate

C16H23NO2 — CID 97355368

IUPACpropyl (2S)-2-phenyl-2-piperidin-1-ylacetate
SMILESCCCOC(=O)[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-13-19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3/t15-/m0/s1
InChIKeyLBCDCBMJWMCPNG-HNNXBMFYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds5

About propyl (2S)-2-phenyl-2-piperidin-1-ylacetate

propyl (2S)-2-phenyl-2-piperidin-1-ylacetate (PubChem CID 97355368) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propyl (2S)-2-phenyl-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namepropyl (2S)-2-phenyl-2-piperidin-1-ylacetate
PubChem CID97355368
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropyl (2S)-2-phenyl-2-piperidin-1-ylacetate
SMILESCCCOC(=O)[C@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-13-19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3/t15-/m0/s1
InChIKeyLBCDCBMJWMCPNG-HNNXBMFYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
3-methylpent-1-yn-3-yl 2-phenyl-2-piperidin-1-ylacetate
CID 24842516
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
propyl (2S)-2-(2,4-dichlorophenyl)-2-piperidin-1-ylacetate
CID 97355454

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-phenyl-2-piperidin-1-ylacetate?
The IUPAC name of propyl (2S)-2-phenyl-2-piperidin-1-ylacetate (CID 97355368) is propyl (2S)-2-phenyl-2-piperidin-1-ylacetate.
What is the SMILES notation for propyl (2S)-2-phenyl-2-piperidin-1-ylacetate?
The canonical SMILES for propyl (2S)-2-phenyl-2-piperidin-1-ylacetate is CCCOC(=O)[C@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of propyl (2S)-2-phenyl-2-piperidin-1-ylacetate?
The InChIKey is LBCDCBMJWMCPNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13-19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3/t15-/m0/s1.
What are the key properties of propyl (2S)-2-phenyl-2-piperidin-1-ylacetate?
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate has a molecular weight of 261.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-phenyl-2-piperidin-1-ylacetate is sourced from PubChem (CID 97355368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).