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

C12H22N2 — CID 62935700

IUPAC3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2/c1-4-11(5-8-13)14-9-6-12(2,3)7-10-14/h11H,4-7,9-10H2,1-3H3
InChIKeyWAWAMUCRMQOPFY-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.80
Rot. Bonds3

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

3-(4,4-dimethylpiperidin-1-yl)pentanenitrile (PubChem CID 62935700) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
PubChem CID62935700
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
SMILESCCC(CC#N)N1CCC(C)(C)CC1
InChIInChI=1S/C12H22N2/c1-4-11(5-8-13)14-9-6-12(2,3)7-10-14/h11H,4-7,9-10H2,1-3H3
InChIKeyWAWAMUCRMQOPFY-UHFFFAOYSA-N
XLogP2.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile (CID 62935700) is 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile is CCC(CC#N)N1CCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile?
The InChIKey is WAWAMUCRMQOPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11(5-8-13)14-9-6-12(2,3)7-10-14/h11H,4-7,9-10H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile?
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 62935700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).