1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine

C12H14BrNO — CID 165347460

IUPAC1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine
SMILESBrc1ccc(C#CCN2CCCCC2)o1
InChIInChI=1S/C12H14BrNO/c13-12-7-6-11(15-12)5-4-10-14-8-2-1-3-9-14/h6-7H,1-3,8-10H2
InChIKeyPBPAUPFWIZPZJG-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.88
Rot. Bonds1

About 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine

1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine (PubChem CID 165347460) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine
PubChem CID165347460
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine
SMILESBrc1ccc(C#CCN2CCCCC2)o1
InChIInChI=1S/C12H14BrNO/c13-12-7-6-11(15-12)5-4-10-14-8-2-1-3-9-14/h6-7H,1-3,8-10H2
InChIKeyPBPAUPFWIZPZJG-UHFFFAOYSA-N
XLogP2.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine?
The IUPAC name of 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine (CID 165347460) is 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine.
What is the SMILES notation for 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine?
The canonical SMILES for 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine is Brc1ccc(C#CCN2CCCCC2)o1.
What is the InChIKey of 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine?
The InChIKey is PBPAUPFWIZPZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-12-7-6-11(15-12)5-4-10-14-8-2-1-3-9-14/h6-7H,1-3,8-10H2.
What are the key properties of 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine?
1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine has a molecular weight of 268.15 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromofuran-2-yl)prop-2-ynyl]piperidine is sourced from PubChem (CID 165347460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).