(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H28N2O2S — CID 79921674

IUPAC(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCN(C)C(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c1-16-5-6-17(2)13(10-16)14(18)12-3-7-19-15(9-12)4-8-20-11-15/h12-14,18H,3-11H2,1-2H3
InChIKeyWGYJXNNKZAOGOP-UHFFFAOYSA-N
MW300.47 g/mol
LogP0.90
Rot. Bonds2

About (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921674) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921674
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCN(C)C(C(O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c1-16-5-6-17(2)13(10-16)14(18)12-3-7-19-15(9-12)4-8-20-11-15/h12-14,18H,3-11H2,1-2H3
InChIKeyWGYJXNNKZAOGOP-UHFFFAOYSA-N
XLogP0.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79921594
(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921218
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79906629
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
N-[(4-methylthiomorpholin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106445285
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79907565
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79911030

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921674) is (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is CN1CCN(C)C(C(O)C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is WGYJXNNKZAOGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-16-5-6-17(2)13(10-16)14(18)12-3-7-19-15(9-12)4-8-20-11-15/h12-14,18H,3-11H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 300.47 g/mol, XLogP of 0.90, 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)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).