3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine

C15H28N2O — CID 79902020

IUPAC3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1CN(C2CCOC3(CCCCC3)C2)CCN1
InChIInChI=1S/C15H28N2O/c1-13-12-17(9-8-16-13)14-5-10-18-15(11-14)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3
InChIKeyUNHGBHAYCMPXFA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds1

About 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine

3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine (PubChem CID 79902020) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
PubChem CID79902020
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1CN(C2CCOC3(CCCCC3)C2)CCN1
InChIInChI=1S/C15H28N2O/c1-13-12-17(9-8-16-13)14-5-10-18-15(11-14)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3
InChIKeyUNHGBHAYCMPXFA-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The IUPAC name of 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine (CID 79902020) is 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The canonical SMILES for 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine is CC1CN(C2CCOC3(CCCCC3)C2)CCN1.
What is the InChIKey of 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The InChIKey is UNHGBHAYCMPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13-12-17(9-8-16-13)14-5-10-18-15(11-14)6-3-2-4-7-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine is sourced from PubChem (CID 79902020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).