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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Related Compounds

4-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 91662509
1-[(2R)-butan-2-yl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine
CID 773054
5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185597
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
CID 23396939
1-[(1-methylpyrrol-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183065
1-[(1-methylpyrrol-2-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 126467816
2-[[(7S,8aR)-2-[(1-methylpyrrol-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]oxy]-N,N-dimethylacetamide
CID 125214227
1-[(6-iodo-3-pyridinyl)methyl]-4-(oxetan-3-yl)piperazine
CID 134601362
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163
1-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine
CID 62132410
2-methyl-6-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]quinoline
CID 167445695
ethane;1-methyl-4-(oxetan-3-yl)piperazine
CID 144595664

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).