1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine

C20H37NO2 — CID 2832845

IUPAC1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
SMILESC1CCCCCC2(CCCCC1)OCC(CN1CCCCC1)O2
InChIInChI=1S/C20H37NO2/c1-2-4-6-9-13-20(14-10-7-5-3-1)22-18-19(23-20)17-21-15-11-8-12-16-21/h19H,1-18H2
InChIKeyOIIPIUYWDFRYAK-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.89
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine

1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine (PubChem CID 2832845) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
PubChem CID2832845
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
SMILESC1CCCCCC2(CCCCC1)OCC(CN1CCCCC1)O2
InChIInChI=1S/C20H37NO2/c1-2-4-6-9-13-20(14-10-7-5-3-1)22-18-19(23-20)17-21-15-11-8-12-16-21/h19H,1-18H2
InChIKeyOIIPIUYWDFRYAK-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine?
The IUPAC name of 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine (CID 2832845) is 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine is C1CCCCCC2(CCCCC1)OCC(CN1CCCCC1)O2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine?
The InChIKey is OIIPIUYWDFRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-4-6-9-13-20(14-10-7-5-3-1)22-18-19(23-20)17-21-15-11-8-12-16-21/h19H,1-18H2.
What are the key properties of 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine?
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine has a molecular weight of 323.52 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine is sourced from PubChem (CID 2832845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).