1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten

C12H25N3OW — CID 156720012

IUPAC1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
SMILESCCCN1CCN(CCN2CC(O)C2)CC1.[W]
InChIInChI=1S/C12H25N3O.W/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-12(16)11-15;/h12,16H,2-11H2,1H3;
InChIKeyVSHGRVSZTKRYIZ-UHFFFAOYSA-N
MW411.19 g/mol
LogP-0.31
Rot. Bonds5

About 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten

1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten (PubChem CID 156720012) has the molecular formula C12H25N3OW and a molecular weight of 411.19 g/mol. Its IUPAC name is 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten.

Molecular Properties

Compound Name1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
PubChem CID156720012
Molecular FormulaC12H25N3OW
Molecular Weight411.19 g/mol
Exact Mass411.15
IUPAC Name1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten
SMILESCCCN1CCN(CCN2CC(O)C2)CC1.[W]
InChIInChI=1S/C12H25N3O.W/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-12(16)11-15;/h12,16H,2-11H2,1H3;
InChIKeyVSHGRVSZTKRYIZ-UHFFFAOYSA-N
XLogP-0.31
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
1-(2-ethylsulfanylethyl)azetidin-3-ol
CID 115773113
methanol;1-propylpiperidine
CID 171515121
1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-ol
CID 131963195
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
cyclohexane-1,4-diol;methane;3-methylcyclopentan-1-ol;2-(4-propylpiperazin-1-yl)ethanol
CID 161047191
1-propylpyrrolidine;hydrobromide
CID 173024709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten?
The IUPAC name of 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten (CID 156720012) is 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten.
What is the SMILES notation for 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten?
The canonical SMILES for 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten is CCCN1CCN(CCN2CC(O)C2)CC1.[W].
What is the InChIKey of 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten?
The InChIKey is VSHGRVSZTKRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.W/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-12(16)11-15;/h12,16H,2-11H2,1H3;.
What are the key properties of 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten?
1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten has a molecular weight of 411.19 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylpiperazin-1-yl)ethyl]azetidin-3-ol;tungsten is sourced from PubChem (CID 156720012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).