1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol

C14H22N2O2 — CID 2913777

IUPAC1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol
SMILESCN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeySTFMPAUQEZXGJC-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.67
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol

1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol (PubChem CID 2913777) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol
PubChem CID2913777
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol
SMILESCN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3
InChIKeySTFMPAUQEZXGJC-UHFFFAOYSA-N
XLogP0.67
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol (CID 2913777) is 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol is CN1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol?
The InChIKey is STFMPAUQEZXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-7-9-16(10-8-15)11-13(17)12-18-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol?
1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-phenoxypropan-2-ol is sourced from PubChem (CID 2913777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).