2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine

C17H30BrNO — CID 102900848

IUPAC2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESBrCCC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30BrNO/c18-12-8-15-6-2-5-13-19(15)14-16-7-11-17(20-16)9-3-1-4-10-17/h15-16H,1-14H2
InChIKeyIKDQLDDSUSUVJB-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.51
Rot. Bonds4

About 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine

2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (PubChem CID 102900848) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
PubChem CID102900848
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC Name2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESBrCCC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30BrNO/c18-12-8-15-6-2-5-13-19(15)14-16-7-11-17(20-16)9-3-1-4-10-17/h15-16H,1-14H2
InChIKeyIKDQLDDSUSUVJB-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]methanol
CID 102848058
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carbonitrile
CID 102898014
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102900849
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900850
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900852
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
CID 102900856
3-Bromo-8-(1-oxaspiro[4.5]decan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 102900857
3-Bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
CID 102900860
4-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900861
4-(Bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900862
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900863
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentanamine
CID 102900864

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (CID 102900848) is 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is BrCCC1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The InChIKey is IKDQLDDSUSUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c18-12-8-15-6-2-5-13-19(15)14-16-7-11-17(20-16)9-3-1-4-10-17/h15-16H,1-14H2.
What are the key properties of 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine has a molecular weight of 344.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).