2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine

C15H28N2OS — CID 79899132

IUPAC2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1(C)CNCCN1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28N2OS/c1-14(2)12-16-6-7-17(14)13-3-8-18-15(11-13)4-9-19-10-5-15/h13,16H,3-12H2,1-2H3
InChIKeyOCMTXUQDAZRRKN-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.12
Rot. Bonds1

About 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine

2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine (PubChem CID 79899132) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine
PubChem CID79899132
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1(C)CNCCN1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28N2OS/c1-14(2)12-16-6-7-17(14)13-3-8-18-15(11-13)4-9-19-10-5-15/h13,16H,3-12H2,1-2H3
InChIKeyOCMTXUQDAZRRKN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902972
1-(3,3-dimethylcyclopentyl)-2,2-dimethylpiperazine
CID 80698651
2,2-dimethyl-1-(oxan-3-yl)piperazine
CID 65460906
1-cyclobutyl-2,2-dimethylpiperazine
CID 59454526
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
CID 83065900
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole
CID 79919153
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 79901492
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
CID 79904096
1-(4-tert-butylcyclohexyl)-2,2-dimethylpiperazine
CID 65462507

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine (CID 79899132) is 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine is CC1(C)CNCCN1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine?
The InChIKey is OCMTXUQDAZRRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-14(2)12-16-6-7-17(14)13-3-8-18-15(11-13)4-9-19-10-5-15/h13,16H,3-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine?
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine has a molecular weight of 284.47 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine is sourced from PubChem (CID 79899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).