(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol

C25H28N2O — CID 24781288

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
SMILESCN1CCN([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-26-17-19-27(20-18-26)24(21-11-5-2-6-12-21)25(28,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,28H,17-20H2,1H3/t24-/m0/s1
InChIKeyAPNGEVKZVHHNKA-DEOSSOPVSA-N
MW372.51 g/mol
LogP3.91
Rot. Bonds5

About (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol

(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol (PubChem CID 24781288) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
PubChem CID24781288
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
SMILESCN1CCN([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-26-17-19-27(20-18-26)24(21-11-5-2-6-12-21)25(28,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,28H,17-20H2,1H3/t24-/m0/s1
InChIKeyAPNGEVKZVHHNKA-DEOSSOPVSA-N
XLogP3.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-4-methylpiperazine
CID 6726
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 92573539
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-(4-tert-butylphenyl)-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
CID 66961853
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
1-cyclohexyl-1,2-diphenyl-2-piperidin-1-ylethanol;hydrochloride
CID 11972073
benzoic acid;1,4-dimethylpiperazine
CID 166460840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol (CID 24781288) is (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol is CN1CCN([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol?
The InChIKey is APNGEVKZVHHNKA-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O/c1-26-17-19-27(20-18-26)24(21-11-5-2-6-12-21)25(28,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,28H,17-20H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol?
(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol has a molecular weight of 372.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol is sourced from PubChem (CID 24781288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).