4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine

C13H26BrNO — CID 106838360

IUPAC4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C13H26BrNO/c1-11(2)10-16-9-8-15-6-4-13(5-7-15)12(3)14/h11-13H,4-10H2,1-3H3
InChIKeyRBZBCMZMRYUCJX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.15
Rot. Bonds6

About 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine

4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 106838360) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID106838360
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(C(C)Br)CC1
InChIInChI=1S/C13H26BrNO/c1-11(2)10-16-9-8-15-6-4-13(5-7-15)12(3)14/h11-13H,4-10H2,1-3H3
InChIKeyRBZBCMZMRYUCJX-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 106838360) is 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine is CC(C)COCCN1CCC(C(C)Br)CC1.
What is the InChIKey of 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is RBZBCMZMRYUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-11(2)10-16-9-8-15-6-4-13(5-7-15)12(3)14/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine?
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 292.26 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 106838360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).