ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate

C15H28N2O2 — CID 2846299

IUPACethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCC2C)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)17-10-8-13(9-11-17)16-14-7-5-4-6-12(14)2/h12-14,16H,3-11H2,1-2H3
InChIKeyAGBGGHRFDZPEFJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds3

About ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 2846299) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate
PubChem CID2846299
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCCC2C)CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)17-10-8-13(9-11-17)16-14-7-5-4-6-12(14)2/h12-14,16H,3-11H2,1-2H3
InChIKeyAGBGGHRFDZPEFJ-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate (CID 2846299) is ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCCC2C)CC1.
What is the InChIKey of ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is AGBGGHRFDZPEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-15(18)17-10-8-13(9-11-17)16-14-7-5-4-6-12(14)2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylcyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 2846299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).