2-(piperazin-1-ylmethyl)pentanenitrile

C10H19N3 — CID 163362429

IUPAC2-(piperazin-1-ylmethyl)pentanenitrile
SMILESCCCC(C#N)CN1CCNCC1
InChIInChI=1S/C10H19N3/c1-2-3-10(8-11)9-13-6-4-12-5-7-13/h10,12H,2-7,9H2,1H3
InChIKeyPOBJPVRPEFTWAY-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.83
Rot. Bonds4

About 2-(piperazin-1-ylmethyl)pentanenitrile

2-(piperazin-1-ylmethyl)pentanenitrile (PubChem CID 163362429) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pentanenitrile.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pentanenitrile
PubChem CID163362429
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(piperazin-1-ylmethyl)pentanenitrile
SMILESCCCC(C#N)CN1CCNCC1
InChIInChI=1S/C10H19N3/c1-2-3-10(8-11)9-13-6-4-12-5-7-13/h10,12H,2-7,9H2,1H3
InChIKeyPOBJPVRPEFTWAY-UHFFFAOYSA-N
XLogP0.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)pentanenitrile?
The IUPAC name of 2-(piperazin-1-ylmethyl)pentanenitrile (CID 163362429) is 2-(piperazin-1-ylmethyl)pentanenitrile.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pentanenitrile?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pentanenitrile is CCCC(C#N)CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pentanenitrile?
The InChIKey is POBJPVRPEFTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-10(8-11)9-13-6-4-12-5-7-13/h10,12H,2-7,9H2,1H3.
What are the key properties of 2-(piperazin-1-ylmethyl)pentanenitrile?
2-(piperazin-1-ylmethyl)pentanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)pentanenitrile is sourced from PubChem (CID 163362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).