2-piperidin-1-ylhexanenitrile

C11H20N2 — CID 61351764

IUPAC2-piperidin-1-ylhexanenitrile
SMILESCCCCC(C#N)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-3-7-11(10-12)13-8-5-4-6-9-13/h11H,2-9H2,1H3
InChIKeyZZEUIZSEPAJSIX-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds4

About 2-piperidin-1-ylhexanenitrile

2-piperidin-1-ylhexanenitrile (PubChem CID 61351764) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-piperidin-1-ylhexanenitrile.

Molecular Properties

Compound Name2-piperidin-1-ylhexanenitrile
PubChem CID61351764
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-piperidin-1-ylhexanenitrile
SMILESCCCCC(C#N)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-2-3-7-11(10-12)13-8-5-4-6-9-13/h11H,2-9H2,1H3
InChIKeyZZEUIZSEPAJSIX-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylhexanenitrile?
The IUPAC name of 2-piperidin-1-ylhexanenitrile (CID 61351764) is 2-piperidin-1-ylhexanenitrile.
What is the SMILES notation for 2-piperidin-1-ylhexanenitrile?
The canonical SMILES for 2-piperidin-1-ylhexanenitrile is CCCCC(C#N)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylhexanenitrile?
The InChIKey is ZZEUIZSEPAJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-7-11(10-12)13-8-5-4-6-9-13/h11H,2-9H2,1H3.
What are the key properties of 2-piperidin-1-ylhexanenitrile?
2-piperidin-1-ylhexanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylhexanenitrile is sourced from PubChem (CID 61351764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).