3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine

C15H26ClNO — CID 102900756

IUPAC3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
SMILESClCC1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H26ClNO/c16-10-13-4-3-9-17(11-13)12-14-5-8-15(18-14)6-1-2-7-15/h13-14H,1-12H2
InChIKeyMYIZYDOTUOUBLY-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.43
Rot. Bonds3

About 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine

3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine (PubChem CID 102900756) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
PubChem CID102900756
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
SMILESClCC1CCCN(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C15H26ClNO/c16-10-13-4-3-9-17(11-13)12-14-5-8-15(18-14)6-1-2-7-15/h13-14H,1-12H2
InChIKeyMYIZYDOTUOUBLY-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.43
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 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The IUPAC name of 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine (CID 102900756) is 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The canonical SMILES for 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine is ClCC1CCCN(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
The InChIKey is MYIZYDOTUOUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c16-10-13-4-3-9-17(11-13)12-14-5-8-15(18-14)6-1-2-7-15/h13-14H,1-12H2.
What are the key properties of 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine?
3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine has a molecular weight of 271.83 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).