4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

C18H32N2 — CID 43291557

IUPAC4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCCC(C)C2)C1
InChIInChI=1S/C18H32N2/c1-5-18(3,4)16-9-8-15(12-19)17(11-16)20-10-6-7-14(2)13-20/h14-17H,5-11,13H2,1-4H3
InChIKeyMDBUIIWVMDNTEG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.46
Rot. Bonds3

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

4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 43291557) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID43291557
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N2CCCC(C)C2)C1
InChIInChI=1S/C18H32N2/c1-5-18(3,4)16-9-8-15(12-19)17(11-16)20-10-6-7-14(2)13-20/h14-17H,5-11,13H2,1-4H3
InChIKeyMDBUIIWVMDNTEG-UHFFFAOYSA-N
XLogP4.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 43291557) is 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N2CCCC(C)C2)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is MDBUIIWVMDNTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-18(3,4)16-9-8-15(12-19)17(11-16)20-10-6-7-14(2)13-20/h14-17H,5-11,13H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 276.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-(3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43291557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).