3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile

C12H23N3 — CID 81459571

IUPAC3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CN(C(CC)CC#N)CCC1N
InChIInChI=1S/C12H23N3/c1-3-10-9-15(8-6-12(10)14)11(4-2)5-7-13/h10-12H,3-6,8-9,14H2,1-2H3
InChIKeyOQHFMQHJRNTDDS-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.74
Rot. Bonds4

About 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile

3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile (PubChem CID 81459571) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
PubChem CID81459571
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
SMILESCCC1CN(C(CC)CC#N)CCC1N
InChIInChI=1S/C12H23N3/c1-3-10-9-15(8-6-12(10)14)11(4-2)5-7-13/h10-12H,3-6,8-9,14H2,1-2H3
InChIKeyOQHFMQHJRNTDDS-UHFFFAOYSA-N
XLogP1.74
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile?
The IUPAC name of 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile (CID 81459571) is 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile?
The canonical SMILES for 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile is CCC1CN(C(CC)CC#N)CCC1N.
What is the InChIKey of 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile?
The InChIKey is OQHFMQHJRNTDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-10-9-15(8-6-12(10)14)11(4-2)5-7-13/h10-12H,3-6,8-9,14H2,1-2H3.
What are the key properties of 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile?
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 81459571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).