4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

C16H28N2O — CID 102957789

IUPAC4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C16H28N2O/c1-4-13-5-6-14(10-17)15(9-13)18-8-7-12(2)16(11-18)19-3/h12-16H,4-9,11H2,1-3H3
InChIKeyIOSFSIVNGUJJEH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.06
Rot. Bonds3

About 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 102957789) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID102957789
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C16H28N2O/c1-4-13-5-6-14(10-17)15(9-13)18-8-7-12(2)16(11-18)19-3/h12-16H,4-9,11H2,1-3H3
InChIKeyIOSFSIVNGUJJEH-UHFFFAOYSA-N
XLogP3.06
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 102957789) is 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCC(C)C(OC)C2)C1.
What is the InChIKey of 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is IOSFSIVNGUJJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-13-5-6-14(10-17)15(9-13)18-8-7-12(2)16(11-18)19-3/h12-16H,4-9,11H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 102957789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).