2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine

C10H18BrNO — CID 62341417

IUPAC2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine
SMILESC=C(Br)COCCC1CCCCN1
InChIInChI=1S/C10H18BrNO/c1-9(11)8-13-7-5-10-4-2-3-6-12-10/h10,12H,1-8H2
InChIKeyUDCCMPXJOMHGBK-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine

2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine (PubChem CID 62341417) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine
PubChem CID62341417
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine
SMILESC=C(Br)COCCC1CCCCN1
InChIInChI=1S/C10H18BrNO/c1-9(11)8-13-7-5-10-4-2-3-6-12-10/h10,12H,1-8H2
InChIKeyUDCCMPXJOMHGBK-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine (CID 62341417) is 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine is C=C(Br)COCCC1CCCCN1.
What is the InChIKey of 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine?
The InChIKey is UDCCMPXJOMHGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(11)8-13-7-5-10-4-2-3-6-12-10/h10,12H,1-8H2.
What are the key properties of 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine?
2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine has a molecular weight of 248.16 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoprop-2-enoxy)ethyl]piperidine is sourced from PubChem (CID 62341417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).