2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile

C13H22N2 — CID 61420857

IUPAC2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCN(C2CCCC2C#N)CC1
InChIInChI=1S/C13H22N2/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(13)10-14/h11-13H,2-9H2,1H3
InChIKeyQLRUXMDNOJYCML-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile

2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 61420857) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
PubChem CID61420857
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCN(C2CCCC2C#N)CC1
InChIInChI=1S/C13H22N2/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(13)10-14/h11-13H,2-9H2,1H3
InChIKeyQLRUXMDNOJYCML-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile (CID 61420857) is 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile is CCC1CCN(C2CCCC2C#N)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is QLRUXMDNOJYCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-11-6-8-15(9-7-11)13-5-3-4-12(13)10-14/h11-13H,2-9H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile?
2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 61420857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).