1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol

C17H26N2O3 — CID 56778731

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cccc3c2OCCO3)CC1C
InChIInChI=1S/C17H26N2O3/c1-13-10-18(6-7-19(13)11-14(2)20)12-15-4-3-5-16-17(15)22-9-8-21-16/h3-5,13-14,20H,6-12H2,1-2H3
InChIKeyFLZTYQUQFCFYGV-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds4

About 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol

1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 56778731) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID56778731
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(Cc2cccc3c2OCCO3)CC1C
InChIInChI=1S/C17H26N2O3/c1-13-10-18(6-7-19(13)11-14(2)20)12-15-4-3-5-16-17(15)22-9-8-21-16/h3-5,13-14,20H,6-12H2,1-2H3
InChIKeyFLZTYQUQFCFYGV-UHFFFAOYSA-N
XLogP1.34
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,4-dimethylpiperazine
CID 154748269
1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113753
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698
(2R)-1-[(2R)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602161
3-fluoro-4-[[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]methyl]benzonitrile
CID 100838927
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
2-[[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 98763904
(2S)-1-[(2S)-4-[(5-fluoroquinolin-8-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763722
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51120604
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol (CID 56778731) is 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(Cc2cccc3c2OCCO3)CC1C.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is FLZTYQUQFCFYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-10-18(6-7-19(13)11-14(2)20)12-15-4-3-5-16-17(15)22-9-8-21-16/h3-5,13-14,20H,6-12H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol?
1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56778731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).