ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate

C16H29NO2 — CID 64775486

IUPACethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCC(CC)CC2)C1
InChIInChI=1S/C16H29NO2/c1-3-13-7-9-15(10-8-13)17-11-5-6-14(12-17)16(18)19-4-2/h13-15H,3-12H2,1-2H3
InChIKeyXBIDFLDKRDCBJL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds4

About ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate

ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate (PubChem CID 64775486) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
PubChem CID64775486
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C2CCC(CC)CC2)C1
InChIInChI=1S/C16H29NO2/c1-3-13-7-9-15(10-8-13)17-11-5-6-14(12-17)16(18)19-4-2/h13-15H,3-12H2,1-2H3
InChIKeyXBIDFLDKRDCBJL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-(2-cyano-5-ethylcyclohexyl)piperidine-3-carboxylate
CID 43291771
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
CID 121456446
ethyl (3S)-1-hydroxypiperidine-3-carboxylate
CID 142359331
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate (CID 64775486) is ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C2CCC(CC)CC2)C1.
What is the InChIKey of ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate?
The InChIKey is XBIDFLDKRDCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-7-9-15(10-8-13)17-11-5-6-14(12-17)16(18)19-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate?
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate is sourced from PubChem (CID 64775486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).