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

C15H25N3O2 — CID 82314270

IUPAC1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
SMILESCOc1cccc(C(O)C(C)NN2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-12(16-18-9-7-17(2)8-10-18)15(19)13-5-4-6-14(11-13)20-3/h4-6,11-12,15-16,19H,7-10H2,1-3H3
InChIKeyUOGNEFFKYCSOLR-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.87
Rot. Bonds5

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

1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol (PubChem CID 82314270) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
PubChem CID82314270
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
SMILESCOc1cccc(C(O)C(C)NN2CCN(C)CC2)c1
InChIInChI=1S/C15H25N3O2/c1-12(16-18-9-7-17(2)8-10-18)15(19)13-5-4-6-14(11-13)20-3/h4-6,11-12,15-16,19H,7-10H2,1-3H3
InChIKeyUOGNEFFKYCSOLR-UHFFFAOYSA-N
XLogP0.87
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83010286
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
CID 82314231
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol (CID 82314270) is 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol is COc1cccc(C(O)C(C)NN2CCN(C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The InChIKey is UOGNEFFKYCSOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(16-18-9-7-17(2)8-10-18)15(19)13-5-4-6-14(11-13)20-3/h4-6,11-12,15-16,19H,7-10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol is sourced from PubChem (CID 82314270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).