1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol

C16H27N3O2 — CID 83019115

IUPAC1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
SMILESCCc1cccc(OCC(O)CNN2CCN(C)CC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-14-5-4-6-16(11-14)21-13-15(20)12-17-19-9-7-18(2)8-10-19/h4-6,11,15,17,20H,3,7-10,12-13H2,1-2H3
InChIKeyVOROPVYFCZMLNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.74
Rot. Bonds7

About 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol

1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol (PubChem CID 83019115) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
PubChem CID83019115
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
SMILESCCc1cccc(OCC(O)CNN2CCN(C)CC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-14-5-4-6-16(11-14)21-13-15(20)12-17-19-9-7-18(2)8-10-19/h4-6,11,15,17,20H,3,7-10,12-13H2,1-2H3
InChIKeyVOROPVYFCZMLNT-UHFFFAOYSA-N
XLogP0.74
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
1-(4-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019139
1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83021469
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021165
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-[[(1S)-1-cyclopentylethyl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 81389982
1-(3-bromoanilino)-3-(3-ethylphenoxy)propan-2-ol
CID 60898167

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The IUPAC name of 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol (CID 83019115) is 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol is CCc1cccc(OCC(O)CNN2CCN(C)CC2)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The InChIKey is VOROPVYFCZMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-14-5-4-6-16(11-14)21-13-15(20)12-17-19-9-7-18(2)8-10-19/h4-6,11,15,17,20H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol is sourced from PubChem (CID 83019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).