(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

C19H31N3O3 — CID 95322239

IUPAC(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3/c23-18(15-22-10-12-25-13-11-22)14-20-6-8-21(9-7-20)16-19(24)17-4-2-1-3-5-17/h1-5,18-19,23-24H,6-16H2/t18-,19-/m0/s1
InChIKeyPESLZVWUWINHKP-OALUTQOASA-N
MW349.48 g/mol
LogP0.03
Rot. Bonds7

About (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol

(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 95322239) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID95322239
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)CN1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O3/c23-18(15-22-10-12-25-13-11-22)14-20-6-8-21(9-7-20)16-19(24)17-4-2-1-3-5-17/h1-5,18-19,23-24H,6-16H2/t18-,19-/m0/s1
InChIKeyPESLZVWUWINHKP-OALUTQOASA-N
XLogP0.03
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
3-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 95602063
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 95322239) is (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is O[C@H](CN1CCOCC1)CN1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PESLZVWUWINHKP-OALUTQOASA-N. The full InChI is InChI=1S/C19H31N3O3/c23-18(15-22-10-12-25-13-11-22)14-20-6-8-21(9-7-20)16-19(24)17-4-2-1-3-5-17/h1-5,18-19,23-24H,6-16H2/t18-,19-/m0/s1.
What are the key properties of (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 349.48 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 95322239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).