(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol

C21H28N2O — CID 156874696

IUPAC(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-17(2)22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)21(24)19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyVZTHWSXJCJMNEW-RTWAWAEBSA-N
MW324.47 g/mol
LogP3.49
Rot. Bonds5

About (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol

(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol (PubChem CID 156874696) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
PubChem CID156874696
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
SMILESCC(C)N1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-17(2)22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)21(24)19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyVZTHWSXJCJMNEW-RTWAWAEBSA-N
XLogP3.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
CID 15065412
(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
1-(azetidin-3-yl)-4-(2-methyl-1-phenylpropyl)piperazine
CID 66203286

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol (CID 156874696) is (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol is CC(C)N1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
The InChIKey is VZTHWSXJCJMNEW-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(2)22-13-15-23(16-14-22)20(18-9-5-3-6-10-18)21(24)19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol?
(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol has a molecular weight of 324.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 156874696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).