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

C17H30ClNO2 — CID 102900908

IUPAC4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESClCCOC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H30ClNO2/c18-10-13-20-15-5-11-19(12-6-15)14-16-4-9-17(21-16)7-2-1-3-8-17/h15-16H,1-14H2
InChIKeyWQOLAEFWZLVMLC-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.59
Rot. Bonds5

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

4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (PubChem CID 102900908) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
PubChem CID102900908
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
SMILESClCCOC1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H30ClNO2/c18-10-13-20-15-5-11-19(12-6-15)14-16-4-9-17(21-16)7-2-1-3-8-17/h15-16H,1-14H2
InChIKeyWQOLAEFWZLVMLC-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine (CID 102900908) is 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is ClCCOC1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
The InChIKey is WQOLAEFWZLVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO2/c18-10-13-20-15-5-11-19(12-6-15)14-16-4-9-17(21-16)7-2-1-3-8-17/h15-16H,1-14H2.
What are the key properties of 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine?
4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine has a molecular weight of 315.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine is sourced from PubChem (CID 102900908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).