ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate

C16H29NO2 — CID 113246394

IUPACethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3
InChIKeyYIWKIOKLMDCIBY-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds5

About ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate

ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate (PubChem CID 113246394) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
PubChem CID113246394
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3
InChIKeyYIWKIOKLMDCIBY-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
CID 142693827
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate (CID 113246394) is ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC2CCCCC2)C1.
What is the InChIKey of ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate?
The InChIKey is YIWKIOKLMDCIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-19-16(18)15-9-6-11-17(13-15)12-10-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3.
What are the key properties of ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate?
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate is sourced from PubChem (CID 113246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).