1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine

C12H18BrNO — CID 130679519

IUPAC1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
SMILESCCC1CCCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C12H18BrNO/c1-2-10-4-3-5-14(7-10)8-11-6-12(13)15-9-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyDPAUCLPDKCPTIF-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.66
Rot. Bonds3

About 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine

1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine (PubChem CID 130679519) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
PubChem CID130679519
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
SMILESCCC1CCCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C12H18BrNO/c1-2-10-4-3-5-14(7-10)8-11-6-12(13)15-9-11/h6,9-10H,2-5,7-8H2,1H3
InChIKeyDPAUCLPDKCPTIF-UHFFFAOYSA-N
XLogP3.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
CID 130727806
1-[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62432874
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
2-[(5-bromofuran-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 130747026
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine (CID 130679519) is 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine is CCC1CCCN(Cc2coc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine?
The InChIKey is DPAUCLPDKCPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-10-4-3-5-14(7-10)8-11-6-12(13)15-9-11/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine?
1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine has a molecular weight of 272.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine is sourced from PubChem (CID 130679519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).