1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine

C12H16N2O3 — CID 130380752

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
SMILESON1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C12H16N2O3/c15-14-5-3-13(4-6-14)8-10-1-2-11-12(7-10)17-9-16-11/h1-2,7,15H,3-6,8-9H2
InChIKeyYWHWRDYLAYUXGN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.92
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine

1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine (PubChem CID 130380752) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
PubChem CID130380752
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
SMILESON1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C12H16N2O3/c15-14-5-3-13(4-6-14)8-10-1-2-11-12(7-10)17-9-16-11/h1-2,7,15H,3-6,8-9H2
InChIKeyYWHWRDYLAYUXGN-UHFFFAOYSA-N
XLogP0.92
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methylsulfanyl]piperazine
CID 21019666
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 17221250
[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 39147920
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-amine
CID 22689438
1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine
CID 2838574
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988489
trans-(1R,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexan-1-ol
CID 15925791
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 121174182
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetate
CID 791345

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine (CID 130380752) is 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine is ON1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine?
The InChIKey is YWHWRDYLAYUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-14-5-3-13(4-6-14)8-10-1-2-11-12(7-10)17-9-16-11/h1-2,7,15H,3-6,8-9H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine?
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine has a molecular weight of 236.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine is sourced from PubChem (CID 130380752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).