methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate

C15H24N2O2 — CID 43291778

IUPACmethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CC(C)CCC2C#N)CC1
InChIInChI=1S/C15H24N2O2/c1-11-3-4-13(10-16)14(9-11)17-7-5-12(6-8-17)15(18)19-2/h11-14H,3-9H2,1-2H3
InChIKeyKAXULIKBFIEPDU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds2

About methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate

methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate (PubChem CID 43291778) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate
PubChem CID43291778
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CC(C)CCC2C#N)CC1
InChIInChI=1S/C15H24N2O2/c1-11-3-4-13(10-16)14(9-11)17-7-5-12(6-8-17)15(18)19-2/h11-14H,3-9H2,1-2H3
InChIKeyKAXULIKBFIEPDU-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate (CID 43291778) is methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate is COC(=O)C1CCN(C2CC(C)CCC2C#N)CC1.
What is the InChIKey of methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate?
The InChIKey is KAXULIKBFIEPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-3-4-13(10-16)14(9-11)17-7-5-12(6-8-17)15(18)19-2/h11-14H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate?
methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyano-5-methylcyclohexyl)piperidine-4-carboxylate is sourced from PubChem (CID 43291778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).