2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C23H33N3O — CID 51636089

IUPAC2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@@H]1CCO
InChIInChI=1S/C23H33N3O/c1-19(2)26-15-14-25(18-23(26)13-16-27)17-20-9-11-22(12-10-20)24(3)21-7-5-4-6-8-21/h4-12,19,23,27H,13-18H2,1-3H3/t23-/m0/s1
InChIKeyMICNLUMOVGBWHU-QHCPKHFHSA-N
MW367.54 g/mol
LogP3.73
Rot. Bonds7

About 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 51636089) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID51636089
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@@H]1CCO
InChIInChI=1S/C23H33N3O/c1-19(2)26-15-14-25(18-23(26)13-16-27)17-20-9-11-22(12-10-20)24(3)21-7-5-4-6-8-21/h4-12,19,23,27H,13-18H2,1-3H3/t23-/m0/s1
InChIKeyMICNLUMOVGBWHU-QHCPKHFHSA-N
XLogP3.73
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
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N-[4-[[(3R)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]methyl]phenyl]acetamide
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3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
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2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 51636089) is 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is MICNLUMOVGBWHU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H33N3O/c1-19(2)26-15-14-25(18-23(26)13-16-27)17-20-9-11-22(12-10-20)24(3)21-7-5-4-6-8-21/h4-12,19,23,27H,13-18H2,1-3H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 367.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 51636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).