(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol

C21H28N2O — CID 95308586

IUPAC(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O/c24-21(20-11-5-2-6-12-20)18-23-16-14-22(15-17-23)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,24H,7,10,13-18H2/t21-/m1/s1
InChIKeyGOAMIEAEVTWORA-OAQYLSRUSA-N
MW324.47 g/mol
LogP2.97
Rot. Bonds7

About (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol

(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol (PubChem CID 95308586) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
PubChem CID95308586
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(CCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O/c24-21(20-11-5-2-6-12-20)18-23-16-14-22(15-17-23)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,24H,7,10,13-18H2/t21-/m1/s1
InChIKeyGOAMIEAEVTWORA-OAQYLSRUSA-N
XLogP2.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-(3-chlorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 3809523
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
1-naphthalen-2-yl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 24784909
1-(2-benzhydrylsulfanylethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol (CID 95308586) is (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol is O[C@H](CN1CCN(CCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol?
The InChIKey is GOAMIEAEVTWORA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21(20-11-5-2-6-12-20)18-23-16-14-22(15-17-23)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,24H,7,10,13-18H2/t21-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol?
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol has a molecular weight of 324.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 95308586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).