cyclohexanamine;4-piperidin-1-ylbenzonitrile

C18H27N3 — CID 144513309

IUPACcyclohexanamine;4-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(N2CCCCC2)cc1.NC1CCCCC1
InChIInChI=1S/C12H14N2.C6H13N/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;7-6-4-2-1-3-5-6/h4-7H,1-3,8-9H2;6H,1-5,7H2
InChIKeyZKNMJUYJVSUNHV-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.83
Rot. Bonds1

About cyclohexanamine;4-piperidin-1-ylbenzonitrile

cyclohexanamine;4-piperidin-1-ylbenzonitrile (PubChem CID 144513309) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is cyclohexanamine;4-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Namecyclohexanamine;4-piperidin-1-ylbenzonitrile
PubChem CID144513309
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Namecyclohexanamine;4-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(N2CCCCC2)cc1.NC1CCCCC1
InChIInChI=1S/C12H14N2.C6H13N/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;7-6-4-2-1-3-5-6/h4-7H,1-3,8-9H2;6H,1-5,7H2
InChIKeyZKNMJUYJVSUNHV-UHFFFAOYSA-N
XLogP3.83
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-piperidin-1-ylbenzonitrile?
The IUPAC name of cyclohexanamine;4-piperidin-1-ylbenzonitrile (CID 144513309) is cyclohexanamine;4-piperidin-1-ylbenzonitrile.
What is the SMILES notation for cyclohexanamine;4-piperidin-1-ylbenzonitrile?
The canonical SMILES for cyclohexanamine;4-piperidin-1-ylbenzonitrile is N#Cc1ccc(N2CCCCC2)cc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;4-piperidin-1-ylbenzonitrile?
The InChIKey is ZKNMJUYJVSUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C6H13N/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;7-6-4-2-1-3-5-6/h4-7H,1-3,8-9H2;6H,1-5,7H2.
What are the key properties of cyclohexanamine;4-piperidin-1-ylbenzonitrile?
cyclohexanamine;4-piperidin-1-ylbenzonitrile has a molecular weight of 285.44 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;4-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 144513309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).