ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate

C16H23NO2 — CID 783175

IUPACethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyCLFOEIXTCSWHRB-HNNXBMFYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate

ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate (PubChem CID 783175) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
PubChem CID783175
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1
InChIKeyCLFOEIXTCSWHRB-HNNXBMFYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
ethyl 1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylate
CID 57031215
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
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CID 3789651

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate (CID 783175) is ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate?
The InChIKey is CLFOEIXTCSWHRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3/t15-/m0/s1.
What are the key properties of ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate?
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate is sourced from PubChem (CID 783175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).