8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C14H23N3O2 — CID 65420975

IUPAC8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCN1CCN(C2(C#N)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H23N3O2/c1-16-6-8-17(9-7-16)13(12-15)2-4-14(5-3-13)18-10-11-19-14/h2-11H2,1H3
InChIKeyVNWMECURLGSPOQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.81
Rot. Bonds1

About 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 65420975) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID65420975
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESCN1CCN(C2(C#N)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C14H23N3O2/c1-16-6-8-17(9-7-16)13(12-15)2-4-14(5-3-13)18-10-11-19-14/h2-11H2,1H3
InChIKeyVNWMECURLGSPOQ-UHFFFAOYSA-N
XLogP0.81
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802976
CID 159323966
CID 159323966
1-methyl-4-pyrrolidin-1-ylazepane-4-carbonitrile
CID 65072657
4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
CID 91600100
1-(4-methylpiperazin-1-yl)-4-phenylcyclohexane-1-carbonitrile
CID 65422483
cyclohexanone;1-methylpiperazine;1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 157062277
1-(4-cyano-1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
CID 28703488
8-(diethylamino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802681
1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine
CID 71150923
2-methyl-1-(4-methylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 65420090
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 65420975) is 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is CN1CCN(C2(C#N)CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is VNWMECURLGSPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-6-8-17(9-7-16)13(12-15)2-4-14(5-3-13)18-10-11-19-14/h2-11H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 65420975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).