1-(4-propylpiperazin-1-yl)butan-1-imine

C11H23N3 — CID 63178941

IUPAC1-(4-propylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(CCC)CC1
InChIInChI=1S/C11H23N3/c1-3-5-11(12)14-9-7-13(6-4-2)8-10-14/h12H,3-10H2,1-2H3/b12-11+
InChIKeyVSNRXMJTSZASLM-VAWYXSNFSA-N
MW197.33 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-propylpiperazin-1-yl)butan-1-imine

1-(4-propylpiperazin-1-yl)butan-1-imine (PubChem CID 63178941) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(4-propylpiperazin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(4-propylpiperazin-1-yl)butan-1-imine
PubChem CID63178941
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(4-propylpiperazin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCN(CCC)CC1
InChIInChI=1S/C11H23N3/c1-3-5-11(12)14-9-7-13(6-4-2)8-10-14/h12H,3-10H2,1-2H3/b12-11+
InChIKeyVSNRXMJTSZASLM-VAWYXSNFSA-N
XLogP1.79
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperazin-1-yl)butan-1-imine?
The IUPAC name of 1-(4-propylpiperazin-1-yl)butan-1-imine (CID 63178941) is 1-(4-propylpiperazin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(4-propylpiperazin-1-yl)butan-1-imine?
The canonical SMILES for 1-(4-propylpiperazin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCN(CCC)CC1.
What is the InChIKey of 1-(4-propylpiperazin-1-yl)butan-1-imine?
The InChIKey is VSNRXMJTSZASLM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23N3/c1-3-5-11(12)14-9-7-13(6-4-2)8-10-14/h12H,3-10H2,1-2H3/b12-11+.
What are the key properties of 1-(4-propylpiperazin-1-yl)butan-1-imine?
1-(4-propylpiperazin-1-yl)butan-1-imine has a molecular weight of 197.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperazin-1-yl)butan-1-imine is sourced from PubChem (CID 63178941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).