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

C16H28BrNO — CID 102900862

IUPAC4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESBrCC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H28BrNO/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13H2
InChIKeyWNEONBPNBDMROA-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.98
Rot. Bonds3

About 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine

4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (PubChem CID 102900862) has the molecular formula C16H28BrNO and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
PubChem CID102900862
Molecular FormulaC16H28BrNO
Molecular Weight330.31 g/mol
Exact Mass329.14
IUPAC Name4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESBrCC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H28BrNO/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13H2
InChIKeyWNEONBPNBDMROA-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The IUPAC name of 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (CID 102900862) is 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The canonical SMILES for 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is BrCC1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The InChIKey is WNEONBPNBDMROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO/c17-12-14-5-10-18(11-6-14)13-15-4-9-16(19-15)7-2-1-3-8-16/h14-15H,1-13H2.
What are the key properties of 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine has a molecular weight of 330.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).