2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol

C15H25N3O — CID 115279452

IUPAC2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
SMILESCN1CCN(CCNCC(O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-7-16-13-15(19)14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3
InChIKeySSIQOOLKXLLXGF-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol

2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol (PubChem CID 115279452) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
PubChem CID115279452
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
SMILESCN1CCN(CCNCC(O)c2ccccc2)CC1
InChIInChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-7-16-13-15(19)14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3
InChIKeySSIQOOLKXLLXGF-UHFFFAOYSA-N
XLogP0.56
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325448
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol (CID 115279452) is 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol is CN1CCN(CCNCC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol?
The InChIKey is SSIQOOLKXLLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-11-18(12-10-17)8-7-16-13-15(19)14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol?
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol has a molecular weight of 263.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol is sourced from PubChem (CID 115279452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).