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

C16H30N2O2 — CID 79921594

IUPAC(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCN(C)C(C(O)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O2/c1-17-8-9-18(2)14(12-17)15(19)13-5-10-20-16(11-13)6-3-4-7-16/h13-15,19H,3-12H2,1-2H3
InChIKeyPMUYXYZJLOGCJX-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.33
Rot. Bonds2

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

(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921594) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID79921594
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCN1CCN(C)C(C(O)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C16H30N2O2/c1-17-8-9-18(2)14(12-17)15(19)13-5-10-20-16(11-13)6-3-4-7-16/h13-15,19H,3-12H2,1-2H3
InChIKeyPMUYXYZJLOGCJX-UHFFFAOYSA-N
XLogP1.33
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674
(1,4-dimethylpiperazin-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79907565
[(1,4-dimethylpiperazin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105247439
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
(1,4-dimethylpiperazin-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79911030
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
6-oxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanol
CID 79922211
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
(2-methyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819651
(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116291
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 79921594) is (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is CN1CCN(C)C(C(O)C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is PMUYXYZJLOGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17-8-9-18(2)14(12-17)15(19)13-5-10-20-16(11-13)6-3-4-7-16/h13-15,19H,3-12H2,1-2H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(1,4-dimethylpiperazin-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 282.43 g/mol, XLogP of 1.33, 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)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).