3-(4,4-diethylpiperidin-1-yl)pentanenitrile

C14H26N2 — CID 55218860

IUPAC3-(4,4-diethylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC(CC)(CC)CC1
InChIInChI=1S/C14H26N2/c1-4-13(7-10-15)16-11-8-14(5-2,6-3)9-12-16/h13H,4-9,11-12H2,1-3H3
InChIKeyXPZFIILJXNIPSD-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.58
Rot. Bonds5

About 3-(4,4-diethylpiperidin-1-yl)pentanenitrile

3-(4,4-diethylpiperidin-1-yl)pentanenitrile (PubChem CID 55218860) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)pentanenitrile
PubChem CID55218860
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(4,4-diethylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC(CC)(CC)CC1
InChIInChI=1S/C14H26N2/c1-4-13(7-10-15)16-11-8-14(5-2,6-3)9-12-16/h13H,4-9,11-12H2,1-3H3
InChIKeyXPZFIILJXNIPSD-UHFFFAOYSA-N
XLogP3.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)pentanenitrile (CID 55218860) is 3-(4,4-diethylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)pentanenitrile is CCC(CC#N)N1CCC(CC)(CC)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)pentanenitrile?
The InChIKey is XPZFIILJXNIPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-13(7-10-15)16-11-8-14(5-2,6-3)9-12-16/h13H,4-9,11-12H2,1-3H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)pentanenitrile?
3-(4,4-diethylpiperidin-1-yl)pentanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 55218860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).