3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile

C12H20N2 — CID 5216821

IUPAC3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile
SMILESCCC1CC(C#N)C1N1CCCCC1
InChIInChI=1S/C12H20N2/c1-2-10-8-11(9-13)12(10)14-6-4-3-5-7-14/h10-12H,2-8H2,1H3
InChIKeyHSWYOUUZPLWBCB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.41
Rot. Bonds2

About 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile

3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile (PubChem CID 5216821) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile
PubChem CID5216821
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile
SMILESCCC1CC(C#N)C1N1CCCCC1
InChIInChI=1S/C12H20N2/c1-2-10-8-11(9-13)12(10)14-6-4-3-5-7-14/h10-12H,2-8H2,1H3
InChIKeyHSWYOUUZPLWBCB-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile?
The IUPAC name of 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile (CID 5216821) is 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile is CCC1CC(C#N)C1N1CCCCC1.
What is the InChIKey of 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile?
The InChIKey is HSWYOUUZPLWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-10-8-11(9-13)12(10)14-6-4-3-5-7-14/h10-12H,2-8H2,1H3.
What are the key properties of 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile?
3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-piperidin-1-ylcyclobutane-1-carbonitrile is sourced from PubChem (CID 5216821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).