1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol

C14H20N2O3 — CID 82303720

IUPAC1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(Cc1ccc2c(c1)OCO2)CN1CCNCC1
InChIInChI=1S/C14H20N2O3/c17-12(9-16-5-3-15-4-6-16)7-11-1-2-13-14(8-11)19-10-18-13/h1-2,8,12,15,17H,3-7,9-10H2
InChIKeyLFALJWYEQMZMRP-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.22
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol

1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 82303720) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID82303720
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(Cc1ccc2c(c1)OCO2)CN1CCNCC1
InChIInChI=1S/C14H20N2O3/c17-12(9-16-5-3-15-4-6-16)7-11-1-2-13-14(8-11)19-10-18-13/h1-2,8,12,15,17H,3-7,9-10H2
InChIKeyLFALJWYEQMZMRP-UHFFFAOYSA-N
XLogP0.22
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
CID 10932365
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-one
CID 82302670
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidin-4-ylethanol;dihydrochloride
CID 154920822
1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47022512
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-(1,3-benzodioxol-5-yl)-3-propan-2-yloxypropan-2-ol
CID 12997542
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
CID 2884916
5-(1,3-benzodioxol-5-yl)-4-piperazin-1-ylpentanal
CID 174791796
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 7951830
N-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylamino]methyl]-3-piperazin-1-ylpropanamide
CID 168989274

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol (CID 82303720) is 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol is OC(Cc1ccc2c(c1)OCO2)CN1CCNCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is LFALJWYEQMZMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12(9-16-5-3-15-4-6-16)7-11-1-2-13-14(8-11)19-10-18-13/h1-2,8,12,15,17H,3-7,9-10H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol?
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 264.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 82303720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).