3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine

C13H20N2O — CID 116871119

IUPAC3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine
SMILESc1c[nH]c(C2(CC3CCCNC3)COC2)c1
InChIInChI=1S/C13H20N2O/c1-3-11(8-14-5-1)7-13(9-16-10-13)12-4-2-6-15-12/h2,4,6,11,14-15H,1,3,5,7-10H2
InChIKeyBHYXRBXSFMZZRG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds3

About 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine

3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine (PubChem CID 116871119) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine
PubChem CID116871119
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine
SMILESc1c[nH]c(C2(CC3CCCNC3)COC2)c1
InChIInChI=1S/C13H20N2O/c1-3-11(8-14-5-1)7-13(9-16-10-13)12-4-2-6-15-12/h2,4,6,11,14-15H,1,3,5,7-10H2
InChIKeyBHYXRBXSFMZZRG-UHFFFAOYSA-N
XLogP1.67
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-methyl-1-(piperidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)imidazolidin-2-one
CID 116981847
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
CID 71638020
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine
CID 119931655
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
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3-(2,2-difluoro-2-phenylethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine?
The IUPAC name of 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine (CID 116871119) is 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine?
The canonical SMILES for 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine is c1c[nH]c(C2(CC3CCCNC3)COC2)c1.
What is the InChIKey of 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine?
The InChIKey is BHYXRBXSFMZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11(8-14-5-1)7-13(9-16-10-13)12-4-2-6-15-12/h2,4,6,11,14-15H,1,3,5,7-10H2.
What are the key properties of 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine?
3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-pyrrol-2-yl)oxetan-3-yl]methyl]piperidine is sourced from PubChem (CID 116871119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).