ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate

C16H30N2O2 — CID 43765341

IUPACethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)18-10-8-14(9-11-18)17-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3
InChIKeyPCJMEFIZNDUAHS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.02
Rot. Bonds3

About ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate (PubChem CID 43765341) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate
PubChem CID43765341
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCCC(C)C2C)CC1
InChIInChI=1S/C16H30N2O2/c1-4-20-16(19)18-10-8-14(9-11-18)17-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3
InChIKeyPCJMEFIZNDUAHS-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate (CID 43765341) is ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCCC(C)C2C)CC1.
What is the InChIKey of ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate?
The InChIKey is PCJMEFIZNDUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-16(19)18-10-8-14(9-11-18)17-15-7-5-6-12(2)13(15)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,3-dimethylcyclohexyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).