1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol

C15H32N2O4 — CID 134429316

IUPAC1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
SMILESCCC(O)COCC(C)OCC(O)CN1CCN(C)CC1
InChIInChI=1S/C15H32N2O4/c1-4-14(18)11-20-10-13(2)21-12-15(19)9-17-7-5-16(3)6-8-17/h13-15,18-19H,4-12H2,1-3H3
InChIKeyQGPDIAVKVPKBQU-UHFFFAOYSA-N
MW304.43 g/mol
LogP-0.21
Rot. Bonds10

About 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol

1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol (PubChem CID 134429316) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
PubChem CID134429316
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Name1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
SMILESCCC(O)COCC(C)OCC(O)CN1CCN(C)CC1
InChIInChI=1S/C15H32N2O4/c1-4-14(18)11-20-10-13(2)21-12-15(19)9-17-7-5-16(3)6-8-17/h13-15,18-19H,4-12H2,1-3H3
InChIKeyQGPDIAVKVPKBQU-UHFFFAOYSA-N
XLogP-0.21
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl butanoate;1-[2-[2-[2-hydroxy-3-[4-[2-hydroxy-3-[2-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]propoxy]propyl]piperazin-1-yl]propoxy]propoxy]propoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;methane
CID 157169086
1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 13273131
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-ethoxy-3-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]propan-2-ol
CID 59804667

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol?
The IUPAC name of 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol (CID 134429316) is 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol.
What is the SMILES notation for 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol?
The canonical SMILES for 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol is CCC(O)COCC(C)OCC(O)CN1CCN(C)CC1.
What is the InChIKey of 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol?
The InChIKey is QGPDIAVKVPKBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O4/c1-4-14(18)11-20-10-13(2)21-12-15(19)9-17-7-5-16(3)6-8-17/h13-15,18-19H,4-12H2,1-3H3.
What are the key properties of 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol?
1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol has a molecular weight of 304.43 g/mol, XLogP of -0.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol is sourced from PubChem (CID 134429316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).