(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C17H33N3O — CID 79907565

IUPAC(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C17H33N3O/c1-19-9-10-20(2)15(13-19)16(18)14-6-11-21-17(12-14)7-4-3-5-8-17/h14-16H,3-13,18H2,1-2H3
InChIKeyQFSVIAJINDKMEU-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine

(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79907565) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79907565
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2CCOC3(CCCCC3)C2)C1
InChIInChI=1S/C17H33N3O/c1-19-9-10-20(2)15(13-19)16(18)14-6-11-21-17(12-14)7-4-3-5-8-17/h14-16H,3-13,18H2,1-2H3
InChIKeyQFSVIAJINDKMEU-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine with MolForge

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79911030
(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921594
[(1,4-dimethylpiperazin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105247439
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79906947
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 79907565) is (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CN1CCN(C)C(C(N)C2CCOC3(CCCCC3)C2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is QFSVIAJINDKMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-19-9-10-20(2)15(13-19)16(18)14-6-11-21-17(12-14)7-4-3-5-8-17/h14-16H,3-13,18H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79907565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).