1-propyl-4-(1H-pyrrol-2-yl)piperazine

C11H19N3 — CID 57288510

IUPAC1-propyl-4-(1H-pyrrol-2-yl)piperazine
SMILESCCCN1CCN(c2ccc[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-2-6-13-7-9-14(10-8-13)11-4-3-5-12-11/h3-5,12H,2,6-10H2,1H3
InChIKeyXOHPTMCCTMCCOW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.55
Rot. Bonds3

About 1-propyl-4-(1H-pyrrol-2-yl)piperazine

1-propyl-4-(1H-pyrrol-2-yl)piperazine (PubChem CID 57288510) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-propyl-4-(1H-pyrrol-2-yl)piperazine.

Molecular Properties

Compound Name1-propyl-4-(1H-pyrrol-2-yl)piperazine
PubChem CID57288510
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-propyl-4-(1H-pyrrol-2-yl)piperazine
SMILESCCCN1CCN(c2ccc[nH]2)CC1
InChIInChI=1S/C11H19N3/c1-2-6-13-7-9-14(10-8-13)11-4-3-5-12-11/h3-5,12H,2,6-10H2,1H3
InChIKeyXOHPTMCCTMCCOW-UHFFFAOYSA-N
XLogP1.55
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1H-pyrrol-2-yl)piperazine?
The IUPAC name of 1-propyl-4-(1H-pyrrol-2-yl)piperazine (CID 57288510) is 1-propyl-4-(1H-pyrrol-2-yl)piperazine.
What is the SMILES notation for 1-propyl-4-(1H-pyrrol-2-yl)piperazine?
The canonical SMILES for 1-propyl-4-(1H-pyrrol-2-yl)piperazine is CCCN1CCN(c2ccc[nH]2)CC1.
What is the InChIKey of 1-propyl-4-(1H-pyrrol-2-yl)piperazine?
The InChIKey is XOHPTMCCTMCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-6-13-7-9-14(10-8-13)11-4-3-5-12-11/h3-5,12H,2,6-10H2,1H3.
What are the key properties of 1-propyl-4-(1H-pyrrol-2-yl)piperazine?
1-propyl-4-(1H-pyrrol-2-yl)piperazine has a molecular weight of 193.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1H-pyrrol-2-yl)piperazine is sourced from PubChem (CID 57288510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).