1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine

C14H26N2O2 — CID 79901478

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-12-11-15-5-6-16(12)13-2-7-18-14(10-13)3-8-17-9-4-14/h12-13,15H,2-11H2,1H3
InChIKeyBLXXXCBILPRXRV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.01
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine (PubChem CID 79901478) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
PubChem CID79901478
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-12-11-15-5-6-16(12)13-2-7-18-14(10-13)3-8-17-9-4-14/h12-13,15H,2-11H2,1H3
InChIKeyBLXXXCBILPRXRV-UHFFFAOYSA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681507
(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784497
5-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79898828
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
1-cyclohexyl-2-methylpiperazine;dihydrochloride
CID 53399295

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine (CID 79901478) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine is CC1CNCCN1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine?
The InChIKey is BLXXXCBILPRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-11-15-5-6-16(12)13-2-7-18-14(10-13)3-8-17-9-4-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine has a molecular weight of 254.37 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine is sourced from PubChem (CID 79901478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).