2-[(2S)-piperazin-2-yl]acetonitrile

C6H11N3 — CID 34180599

IUPAC2-[(2S)-piperazin-2-yl]acetonitrile
SMILESN#CC[C@H]1CNCCN1
InChIInChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2/t6-/m0/s1
InChIKeyTVKAZNBVXZKTAV-LURJTMIESA-N
MW125.18 g/mol
LogP-0.54
Rot. Bonds1

About 2-[(2S)-piperazin-2-yl]acetonitrile

2-[(2S)-piperazin-2-yl]acetonitrile (PubChem CID 34180599) has the molecular formula C6H11N3 and a molecular weight of 125.18 g/mol. Its IUPAC name is 2-[(2S)-piperazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S)-piperazin-2-yl]acetonitrile
PubChem CID34180599
Molecular FormulaC6H11N3
Molecular Weight125.18 g/mol
Exact Mass125.10
IUPAC Name2-[(2S)-piperazin-2-yl]acetonitrile
SMILESN#CC[C@H]1CNCCN1
InChIInChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2/t6-/m0/s1
InChIKeyTVKAZNBVXZKTAV-LURJTMIESA-N
XLogP-0.54
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperazin-2-yl]acetonitrile?
The IUPAC name of 2-[(2S)-piperazin-2-yl]acetonitrile (CID 34180599) is 2-[(2S)-piperazin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2S)-piperazin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2S)-piperazin-2-yl]acetonitrile is N#CC[C@H]1CNCCN1.
What is the InChIKey of 2-[(2S)-piperazin-2-yl]acetonitrile?
The InChIKey is TVKAZNBVXZKTAV-LURJTMIESA-N. The full InChI is InChI=1S/C6H11N3/c7-2-1-6-5-8-3-4-9-6/h6,8-9H,1,3-5H2/t6-/m0/s1.
What are the key properties of 2-[(2S)-piperazin-2-yl]acetonitrile?
2-[(2S)-piperazin-2-yl]acetonitrile has a molecular weight of 125.18 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperazin-2-yl]acetonitrile is sourced from PubChem (CID 34180599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).