2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile

C15H26N2 — CID 43291716

IUPAC2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-2-6-13-7-8-14(12-16)15(11-13)17-9-4-3-5-10-17/h13-15H,2-11H2,1H3
InChIKeyIOROIBLZABHKDX-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.58
Rot. Bonds3

About 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile

2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile (PubChem CID 43291716) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
PubChem CID43291716
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCCCC2)C1
InChIInChI=1S/C15H26N2/c1-2-6-13-7-8-14(12-16)15(11-13)17-9-4-3-5-10-17/h13-15H,2-11H2,1H3
InChIKeyIOROIBLZABHKDX-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile (CID 43291716) is 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCCCC2)C1.
What is the InChIKey of 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile?
The InChIKey is IOROIBLZABHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-13-7-8-14(12-16)15(11-13)17-9-4-3-5-10-17/h13-15H,2-11H2,1H3.
What are the key properties of 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile?
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43291716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).