2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

C20H30ClNO2 — CID 138399280

IUPAC2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCC1(c2ccccc2)CCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C20H29NO2.ClH/c1-19(16-7-3-2-4-8-16)10-12-20(13-11-19)22-15-18(23-20)17-9-5-6-14-21-17;/h2-4,7-8,17-18,21H,5-6,9-15H2,1H3;1H
InChIKeyPMIFBJOMQOXWSL-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.19
Rot. Bonds2

About 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride

2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (PubChem CID 138399280) has the molecular formula C20H30ClNO2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
PubChem CID138399280
Molecular FormulaC20H30ClNO2
Molecular Weight351.92 g/mol
Exact Mass351.20
IUPAC Name2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride
SMILESCC1(c2ccccc2)CCC2(CC1)OCC(C1CCCCN1)O2.Cl
InChIInChI=1S/C20H29NO2.ClH/c1-19(16-7-3-2-4-8-16)10-12-20(13-11-19)22-15-18(23-20)17-9-5-6-14-21-17;/h2-4,7-8,17-18,21H,5-6,9-15H2,1H3;1H
InChIKeyPMIFBJOMQOXWSL-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The IUPAC name of 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride (CID 138399280) is 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The canonical SMILES for 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is CC1(c2ccccc2)CCC2(CC1)OCC(C1CCCCN1)O2.Cl.
What is the InChIKey of 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
The InChIKey is PMIFBJOMQOXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2.ClH/c1-19(16-7-3-2-4-8-16)10-12-20(13-11-19)22-15-18(23-20)17-9-5-6-14-21-17;/h2-4,7-8,17-18,21H,5-6,9-15H2,1H3;1H.
What are the key properties of 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride?
2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-phenyl-1,4-dioxaspiro[4.5]decan-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 138399280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).