1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine

C19H38N4 — CID 18547072

IUPAC1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C19H38N4/c1-7-16(2)17(18(3,4)22-12-8-20-9-13-22)19(5,6)23-14-10-21-11-15-23/h20-21H,7-15H2,1-6H3
InChIKeyWHOVRUSVQHXMGQ-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.08
Rot. Bonds5

About 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine

1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine (PubChem CID 18547072) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
PubChem CID18547072
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
SMILESCCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C19H38N4/c1-7-16(2)17(18(3,4)22-12-8-20-9-13-22)19(5,6)23-14-10-21-11-15-23/h20-21H,7-15H2,1-6H3
InChIKeyWHOVRUSVQHXMGQ-UHFFFAOYSA-N
XLogP2.08
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The IUPAC name of 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine (CID 18547072) is 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The canonical SMILES for 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine is CCC(C)=C(C(C)(C)N1CCNCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
The InChIKey is WHOVRUSVQHXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-7-16(2)17(18(3,4)22-12-8-20-9-13-22)19(5,6)23-14-10-21-11-15-23/h20-21H,7-15H2,1-6H3.
What are the key properties of 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine?
1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine has a molecular weight of 322.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine is sourced from PubChem (CID 18547072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).