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

C11H16BrNO — CID 130653751

IUPAC1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
SMILESCC1CCCCN1Cc1coc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9-4-2-3-5-13(9)7-10-6-11(12)14-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPKFNPTPVNORDGA-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.42
Rot. Bonds2

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

1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine (PubChem CID 130653751) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
PubChem CID130653751
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
SMILESCC1CCCCN1Cc1coc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9-4-2-3-5-13(9)7-10-6-11(12)14-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyPKFNPTPVNORDGA-UHFFFAOYSA-N
XLogP3.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
2-[(5-bromofuran-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 130747026
[2-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970904
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
CID 131186323
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine (CID 130653751) is 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine is CC1CCCCN1Cc1coc(Br)c1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine?
The InChIKey is PKFNPTPVNORDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9-4-2-3-5-13(9)7-10-6-11(12)14-8-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine?
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine has a molecular weight of 258.16 g/mol, XLogP of 3.42, 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-methylpiperidine is sourced from PubChem (CID 130653751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).