1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine

C12H18BrNO — CID 131020830

IUPAC1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(Cc2coc(Br)c2)C1C
InChIInChI=1S/C12H18BrNO/c1-9-4-3-5-14(10(9)2)7-11-6-12(13)15-8-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyJGGAPQBJNXJBNP-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.66
Rot. Bonds2

About 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine

1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine (PubChem CID 131020830) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
PubChem CID131020830
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(Cc2coc(Br)c2)C1C
InChIInChI=1S/C12H18BrNO/c1-9-4-3-5-14(10(9)2)7-11-6-12(13)15-8-11/h6,8-10H,3-5,7H2,1-2H3
InChIKeyJGGAPQBJNXJBNP-UHFFFAOYSA-N
XLogP3.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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]-2-methylpiperidine
CID 130653751
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016
[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62412124
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
CID 82986221
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]-3,4-dimethylpyrrolidin-2-one
CID 130854790

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine (CID 131020830) is 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine is CC1CCCN(Cc2coc(Br)c2)C1C.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine?
The InChIKey is JGGAPQBJNXJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9-4-3-5-14(10(9)2)7-11-6-12(13)15-8-11/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine?
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine has a molecular weight of 272.19 g/mol, XLogP of 3.66, 2 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]-2,3-dimethylpiperidine is sourced from PubChem (CID 131020830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).