ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate

C16H29NO2 — CID 115539291

IUPACethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1CCCCC1CC
InChIInChI=1S/C16H29NO2/c1-3-13-9-5-6-10-14(13)17-12-8-7-11-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3
InChIKeyYPLFDDPYWPOVNU-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.37
Rot. Bonds4

About ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate

ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate (PubChem CID 115539291) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
PubChem CID115539291
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C1CCCCC1CC
InChIInChI=1S/C16H29NO2/c1-3-13-9-5-6-10-14(13)17-12-8-7-11-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3
InChIKeyYPLFDDPYWPOVNU-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate (CID 115539291) is ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C1CCCCC1CC.
What is the InChIKey of ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate?
The InChIKey is YPLFDDPYWPOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-9-5-6-10-14(13)17-12-8-7-11-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate?
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate is sourced from PubChem (CID 115539291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).