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

C15H25N3O2 — CID 83021469

IUPAC1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O2/c1-13-3-5-15(6-4-13)20-12-14(19)11-16-18-9-7-17(2)8-10-18/h3-6,14,16,19H,7-12H2,1-2H3
InChIKeyNZHZBXVVAXVLRW-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.49
Rot. Bonds6

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

1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol (PubChem CID 83021469) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
PubChem CID83021469
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNN2CCN(C)CC2)cc1
InChIInChI=1S/C15H25N3O2/c1-13-3-5-15(6-4-13)20-12-14(19)11-16-18-9-7-17(2)8-10-18/h3-6,14,16,19H,7-12H2,1-2H3
InChIKeyNZHZBXVVAXVLRW-UHFFFAOYSA-N
XLogP0.49
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019139
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
1-(3-ethylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol
CID 83019115
1-(4-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021074
2-[2-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propoxy]benzonitrile
CID 83019129
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(4-methylphenoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669530
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83013958
1-(3-methylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021165

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol (CID 83021469) is 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol is Cc1ccc(OCC(O)CNN2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
The InChIKey is NZHZBXVVAXVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-3-5-15(6-4-13)20-12-14(19)11-16-18-9-7-17(2)8-10-18/h3-6,14,16,19H,7-12H2,1-2H3.
What are the key properties of 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol?
1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[(4-methylpiperazin-1-yl)amino]propan-2-ol is sourced from PubChem (CID 83021469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).