1-[(3-bromofuran-2-yl)methyl]piperidine

C10H14BrNO — CID 130667893

IUPAC1-[(3-bromofuran-2-yl)methyl]piperidine
SMILESBrc1ccoc1CN1CCCCC1
InChIInChI=1S/C10H14BrNO/c11-9-4-7-13-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2
InChIKeyZTZWWDMQGSXMPV-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.03
Rot. Bonds2

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

1-[(3-bromofuran-2-yl)methyl]piperidine (PubChem CID 130667893) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)methyl]piperidine
PubChem CID130667893
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-[(3-bromofuran-2-yl)methyl]piperidine
SMILESBrc1ccoc1CN1CCCCC1
InChIInChI=1S/C10H14BrNO/c11-9-4-7-13-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2
InChIKeyZTZWWDMQGSXMPV-UHFFFAOYSA-N
XLogP3.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 146026972
2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
CID 106885961
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
1-(3-bromofuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 131091304
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 106885940
3-[(3-bromofuran-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 113237827
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[(3-bromofuran-2-yl)methyl]cyclohexanamine
CID 103675127
1-[(3-bromofuran-2-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 106889586

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)methyl]piperidine?
The IUPAC name of 1-[(3-bromofuran-2-yl)methyl]piperidine (CID 130667893) is 1-[(3-bromofuran-2-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)methyl]piperidine?
The canonical SMILES for 1-[(3-bromofuran-2-yl)methyl]piperidine is Brc1ccoc1CN1CCCCC1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)methyl]piperidine?
The InChIKey is ZTZWWDMQGSXMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-9-4-7-13-10(9)8-12-5-2-1-3-6-12/h4,7H,1-3,5-6,8H2.
What are the key properties of 1-[(3-bromofuran-2-yl)methyl]piperidine?
1-[(3-bromofuran-2-yl)methyl]piperidine has a molecular weight of 244.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromofuran-2-yl)methyl]piperidine is sourced from PubChem (CID 130667893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).