(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine

C15H29N3O2 — CID 79911030

IUPAC(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C15H29N3O2/c1-17-5-6-18(2)13(10-17)14(16)12-3-7-20-15(9-12)4-8-19-11-15/h12-14H,3-11,16H2,1-2H3
InChIKeyFHQLRFSDCRHSOL-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.15
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine

(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79911030) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
PubChem CID79911030
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
SMILESCN1CCN(C)C(C(N)C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C15H29N3O2/c1-17-5-6-18(2)13(10-17)14(16)12-3-7-20-15(9-12)4-8-19-11-15/h12-14H,3-11,16H2,1-2H3
InChIKeyFHQLRFSDCRHSOL-UHFFFAOYSA-N
XLogP0.15
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79907565
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
(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
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927776
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)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine (CID 79911030) is (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is CN1CCN(C)C(C(N)C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is FHQLRFSDCRHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-5-6-18(2)13(10-17)14(16)12-3-7-20-15(9-12)4-8-19-11-15/h12-14H,3-11,16H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 283.42 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).