1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine

C19H40N4 — CID 137390892

IUPAC1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCCN1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H40N4/c1-6-20-9-11-22(12-10-20)18(4)7-8-19(5)23-15-13-21(14-16-23)17(2)3/h17-19H,6-16H2,1-5H3
InChIKeyAZNQDPOGWCFQSZ-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.21
Rot. Bonds7

About 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine

1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine (PubChem CID 137390892) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
PubChem CID137390892
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
SMILESCCN1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H40N4/c1-6-20-9-11-22(12-10-20)18(4)7-8-19(5)23-15-13-21(14-16-23)17(2)3/h17-19H,6-16H2,1-5H3
InChIKeyAZNQDPOGWCFQSZ-UHFFFAOYSA-N
XLogP2.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine (CID 137390892) is 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine is CCN1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
The InChIKey is AZNQDPOGWCFQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-6-20-9-11-22(12-10-20)18(4)7-8-19(5)23-15-13-21(14-16-23)17(2)3/h17-19H,6-16H2,1-5H3.
What are the key properties of 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine?
1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine has a molecular weight of 324.56 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine is sourced from PubChem (CID 137390892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).