2-(2-bromoprop-2-enoxymethyl)piperidine

C9H16BrNO — CID 62335467

IUPAC2-(2-bromoprop-2-enoxymethyl)piperidine
SMILESC=C(Br)COCC1CCCCN1
InChIInChI=1S/C9H16BrNO/c1-8(10)6-12-7-9-4-2-3-5-11-9/h9,11H,1-7H2
InChIKeyDJJNMBQRQFAYMU-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-bromoprop-2-enoxymethyl)piperidine

2-(2-bromoprop-2-enoxymethyl)piperidine (PubChem CID 62335467) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name2-(2-bromoprop-2-enoxymethyl)piperidine
PubChem CID62335467
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-(2-bromoprop-2-enoxymethyl)piperidine
SMILESC=C(Br)COCC1CCCCN1
InChIInChI=1S/C9H16BrNO/c1-8(10)6-12-7-9-4-2-3-5-11-9/h9,11H,1-7H2
InChIKeyDJJNMBQRQFAYMU-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enoxymethyl)piperidine?
The IUPAC name of 2-(2-bromoprop-2-enoxymethyl)piperidine (CID 62335467) is 2-(2-bromoprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 2-(2-bromoprop-2-enoxymethyl)piperidine?
The canonical SMILES for 2-(2-bromoprop-2-enoxymethyl)piperidine is C=C(Br)COCC1CCCCN1.
What is the InChIKey of 2-(2-bromoprop-2-enoxymethyl)piperidine?
The InChIKey is DJJNMBQRQFAYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-8(10)6-12-7-9-4-2-3-5-11-9/h9,11H,1-7H2.
What are the key properties of 2-(2-bromoprop-2-enoxymethyl)piperidine?
2-(2-bromoprop-2-enoxymethyl)piperidine has a molecular weight of 234.14 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 62335467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).