1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine

C12H21N3 — CID 156752524

IUPAC1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2=C(C)N=CC2)CC1
InChIInChI=1S/C12H21N3/c1-3-6-14-7-9-15(10-8-14)12-4-5-13-11(12)2/h5H,3-4,6-10H2,1-2H3
InChIKeyDXVGZYXEPRGLQL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.72
Rot. Bonds3

About 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine

1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine (PubChem CID 156752524) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine
PubChem CID156752524
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine
SMILESCCCN1CCN(C2=C(C)N=CC2)CC1
InChIInChI=1S/C12H21N3/c1-3-6-14-7-9-15(10-8-14)12-4-5-13-11(12)2/h5H,3-4,6-10H2,1-2H3
InChIKeyDXVGZYXEPRGLQL-UHFFFAOYSA-N
XLogP1.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine?
The IUPAC name of 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine (CID 156752524) is 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine.
What is the SMILES notation for 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine?
The canonical SMILES for 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine is CCCN1CCN(C2=C(C)N=CC2)CC1.
What is the InChIKey of 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine?
The InChIKey is DXVGZYXEPRGLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-6-14-7-9-15(10-8-14)12-4-5-13-11(12)2/h5H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine?
1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine has a molecular weight of 207.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine is sourced from PubChem (CID 156752524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).