(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile

C18H25N3 — CID 154691706

IUPAC(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile
SMILESCCC/C(C#N)=C1\CCCC(N2CCC(C)CC2)=C1C#N
InChIInChI=1S/C18H25N3/c1-3-5-15(12-19)16-6-4-7-18(17(16)13-20)21-10-8-14(2)9-11-21/h14H,3-11H2,1-2H3/b16-15-
InChIKeyYFKURUXFFLYSIF-NXVVXOECSA-N
MW283.42 g/mol
LogP4.30
Rot. Bonds3

About (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile

(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile (PubChem CID 154691706) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile
PubChem CID154691706
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile
SMILESCCC/C(C#N)=C1\CCCC(N2CCC(C)CC2)=C1C#N
InChIInChI=1S/C18H25N3/c1-3-5-15(12-19)16-6-4-7-18(17(16)13-20)21-10-8-14(2)9-11-21/h14H,3-11H2,1-2H3/b16-15-
InChIKeyYFKURUXFFLYSIF-NXVVXOECSA-N
XLogP4.30
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile?
The IUPAC name of (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile (CID 154691706) is (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile.
What is the SMILES notation for (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile?
The canonical SMILES for (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile is CCC/C(C#N)=C1\CCCC(N2CCC(C)CC2)=C1C#N.
What is the InChIKey of (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile?
The InChIKey is YFKURUXFFLYSIF-NXVVXOECSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-5-15(12-19)16-6-4-7-18(17(16)13-20)21-10-8-14(2)9-11-21/h14H,3-11H2,1-2H3/b16-15-.
What are the key properties of (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile?
(6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(1-cyanobutylidene)-2-(4-methylpiperidin-1-yl)cyclohexene-1-carbonitrile is sourced from PubChem (CID 154691706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).