1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine

C13H21N3O — CID 150371649

IUPAC1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine
SMILESCn1cccc1CN1CCN(C2COC2)CC1
InChIInChI=1S/C13H21N3O/c1-14-4-2-3-12(14)9-15-5-7-16(8-6-15)13-10-17-11-13/h2-4,13H,5-11H2,1H3
InChIKeyGXVXDMGIQVYESB-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.54
Rot. Bonds3

About 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine

1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine (PubChem CID 150371649) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine
PubChem CID150371649
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine
SMILESCn1cccc1CN1CCN(C2COC2)CC1
InChIInChI=1S/C13H21N3O/c1-14-4-2-3-12(14)9-15-5-7-16(8-6-15)13-10-17-11-13/h2-4,13H,5-11H2,1H3
InChIKeyGXVXDMGIQVYESB-UHFFFAOYSA-N
XLogP0.54
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine (CID 150371649) is 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine is Cn1cccc1CN1CCN(C2COC2)CC1.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine?
The InChIKey is GXVXDMGIQVYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-4-2-3-12(14)9-15-5-7-16(8-6-15)13-10-17-11-13/h2-4,13H,5-11H2,1H3.
What are the key properties of 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine?
1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine has a molecular weight of 235.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 150371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).