2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine

C16H30N2O — CID 79902972

IUPAC2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1(C)CNCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-15(2)13-17-9-10-18(15)14-6-11-19-16(12-14)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3
InChIKeyFJTKZYLOSJNTNY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds1

About 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine

2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine (PubChem CID 79902972) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
PubChem CID79902972
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
SMILESCC1(C)CNCCN1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-15(2)13-17-9-10-18(15)14-6-11-19-16(12-14)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3
InChIKeyFJTKZYLOSJNTNY-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperazine
CID 79899132
1-cycloheptyl-2,2-dimethylpiperazine
CID 65460692
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-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine
CID 79902020
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-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
1-cyclohexyl-2,2-dimethyl-1,4-diazepane
CID 82241587

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine (CID 79902972) is 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine is CC1(C)CNCCN1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
The InChIKey is FJTKZYLOSJNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2)13-17-9-10-18(15)14-6-11-19-16(12-14)7-4-3-5-8-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine?
2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine has a molecular weight of 266.43 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperazine is sourced from PubChem (CID 79902972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).