1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine

C13H21N3 — CID 116829817

IUPAC1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine
SMILESc1cc(C2(CN3CCNCC3)CCC2)c[nH]1
InChIInChI=1S/C13H21N3/c1-3-13(4-1,12-2-5-15-10-12)11-16-8-6-14-7-9-16/h2,5,10,14-15H,1,3-4,6-9,11H2
InChIKeyAOSLHPOIEJEWCN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.34
Rot. Bonds3

About 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine

1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine (PubChem CID 116829817) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine
PubChem CID116829817
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine
SMILESc1cc(C2(CN3CCNCC3)CCC2)c[nH]1
InChIInChI=1S/C13H21N3/c1-3-13(4-1,12-2-5-15-10-12)11-16-8-6-14-7-9-16/h2,5,10,14-15H,1,3-4,6-9,11H2
InChIKeyAOSLHPOIEJEWCN-UHFFFAOYSA-N
XLogP1.34
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine?
The IUPAC name of 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine (CID 116829817) is 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine is c1cc(C2(CN3CCNCC3)CCC2)c[nH]1.
What is the InChIKey of 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine?
The InChIKey is AOSLHPOIEJEWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-13(4-1,12-2-5-15-10-12)11-16-8-6-14-7-9-16/h2,5,10,14-15H,1,3-4,6-9,11H2.
What are the key properties of 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine?
1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-pyrrol-3-yl)cyclobutyl]methyl]piperazine is sourced from PubChem (CID 116829817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).