cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol

C23H52N2O4 — CID 161047191

IUPACcyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol
SMILESC.C.CC1CCC(O)C1.CCCN1CCN(CCO)CC1.OC1CCC(O)CC1
InChIInChI=1S/C9H20N2O.C6H12O2.C6H12O.2CH4/c1-2-3-10-4-6-11(7-5-10)8-9-12;7-5-1-2-6(8)4-3-5;1-5-2-3-6(7)4-5;;/h12H,2-9H2,1H3;5-8H,1-4H2;5-7H,2-4H2,1H3;2*1H4
InChIKeyUBQPBUBILNGXCH-UHFFFAOYSA-N
MW420.68 g/mol
LogP2.73
Rot. Bonds4

About cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol

cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol (PubChem CID 161047191) has the molecular formula C23H52N2O4 and a molecular weight of 420.68 g/mol. Its IUPAC name is cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Namecyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol
PubChem CID161047191
Molecular FormulaC23H52N2O4
Molecular Weight420.68 g/mol
Exact Mass420.39
IUPAC Namecyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol
SMILESC.C.CC1CCC(O)C1.CCCN1CCN(CCO)CC1.OC1CCC(O)CC1
InChIInChI=1S/C9H20N2O.C6H12O2.C6H12O.2CH4/c1-2-3-10-4-6-11(7-5-10)8-9-12;7-5-1-2-6(8)4-3-5;1-5-2-3-6(7)4-5;;/h12H,2-9H2,1H3;5-8H,1-4H2;5-7H,2-4H2,1H3;2*1H4
InChIKeyUBQPBUBILNGXCH-UHFFFAOYSA-N
XLogP2.73
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.68
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol with MolForge

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Related Compounds

bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003
2-[4-[(1R,3R)-3-methylcyclopentyl]piperazin-1-yl]ethanol
CID 30327158
cis-(1R,3S)-3-methylcyclopentan-1-ol;ethane
CID 171838675
3-methylcyclopentan-1-ol;yttrium
CID 178142170
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
CID 156720012
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 55179892
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 3708932
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 16791098
propan-1-ol;2-pyrrolidin-1-ylethanol
CID 174908040
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol?
The IUPAC name of cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol (CID 161047191) is cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol.
What is the SMILES notation for cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol?
The canonical SMILES for cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol is C.C.CC1CCC(O)C1.CCCN1CCN(CCO)CC1.OC1CCC(O)CC1.
What is the InChIKey of cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol?
The InChIKey is UBQPBUBILNGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C6H12O2.C6H12O.2CH4/c1-2-3-10-4-6-11(7-5-10)8-9-12;7-5-1-2-6(8)4-3-5;1-5-2-3-6(7)4-5;;/h12H,2-9H2,1H3;5-8H,1-4H2;5-7H,2-4H2,1H3;2*1H4.
What are the key properties of cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol?
cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol has a molecular weight of 420.68 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol is sourced from PubChem (CID 161047191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).