ethyl 4-(cyclooctylamino)piperidine-1-carboxylate

C16H30N2O2 — CID 2059342

IUPACethyl 4-(cyclooctylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-20-16(19)18-12-10-15(11-13-18)17-14-8-6-4-3-5-7-9-14/h14-15,17H,2-13H2,1H3
InChIKeyXVYMQCWXUDXAHK-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.31
Rot. Bonds3

About ethyl 4-(cyclooctylamino)piperidine-1-carboxylate

ethyl 4-(cyclooctylamino)piperidine-1-carboxylate (PubChem CID 2059342) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 4-(cyclooctylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclooctylamino)piperidine-1-carboxylate
PubChem CID2059342
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 4-(cyclooctylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-20-16(19)18-12-10-15(11-13-18)17-14-8-6-4-3-5-7-9-14/h14-15,17H,2-13H2,1H3
InChIKeyXVYMQCWXUDXAHK-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclooctylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclooctylamino)piperidine-1-carboxylate (CID 2059342) is ethyl 4-(cyclooctylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclooctylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclooctylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCCCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclooctylamino)piperidine-1-carboxylate?
The InChIKey is XVYMQCWXUDXAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-20-16(19)18-12-10-15(11-13-18)17-14-8-6-4-3-5-7-9-14/h14-15,17H,2-13H2,1H3.
What are the key properties of ethyl 4-(cyclooctylamino)piperidine-1-carboxylate?
ethyl 4-(cyclooctylamino)piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclooctylamino)piperidine-1-carboxylate is sourced from PubChem (CID 2059342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).