ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate

C16H29NO2 — CID 30980649

IUPACethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C1CCC(CC)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-8-10-14(11-9-13)17-12-6-5-7-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3/t13?,14?,15-/m0/s1
InChIKeyLFFDNVDWDYHKCY-NRXISQOPSA-N
MW267.41 g/mol
LogP3.37
Rot. Bonds4

About ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate

ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate (PubChem CID 30980649) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
PubChem CID30980649
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCCCN1C1CCC(CC)CC1
InChIInChI=1S/C16H29NO2/c1-3-13-8-10-14(11-9-13)17-12-6-5-7-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3/t13?,14?,15-/m0/s1
InChIKeyLFFDNVDWDYHKCY-NRXISQOPSA-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

Analyze ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate (CID 30980649) is ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCCCN1C1CCC(CC)CC1.
What is the InChIKey of ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
The InChIKey is LFFDNVDWDYHKCY-NRXISQOPSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-8-10-14(11-9-13)17-12-6-5-7-15(17)16(18)19-4-2/h13-15H,3-12H2,1-2H3/t13?,14?,15-/m0/s1.
What are the key properties of ethyl (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate?
ethyl (2S)-1-(4-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 (2S)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate is sourced from PubChem (CID 30980649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).