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

C26H36FN3O — CID 28783926

IUPAC2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1CCCc1ccccc1
InChIInChI=1S/C26H36FN3O/c27-25-10-4-5-11-26(25)29-16-12-23(13-17-29)30-19-18-28(24(21-30)14-20-31)15-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,23-24,31H,6,9,12-21H2/t24-/m0/s1
InChIKeyMBTPYOJVLTYDPO-DEOSSOPVSA-N
MW425.59 g/mol
LogP3.80
Rot. Bonds8

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

2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 28783926) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID28783926
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC Name2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1CCCc1ccccc1
InChIInChI=1S/C26H36FN3O/c27-25-10-4-5-11-26(25)29-16-12-23(13-17-29)30-19-18-28(24(21-30)14-20-31)15-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,23-24,31H,6,9,12-21H2/t24-/m0/s1
InChIKeyMBTPYOJVLTYDPO-DEOSSOPVSA-N
XLogP3.80
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((methylphenylamino)methyl)-
CID 3072750
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
[4-Benzyl-1'-(3,4-difluorophenyl)-1,4'-bipiperidin-4-yl]methanol
CID 16188907
2-[1-(3,4-Difluorobenzyl)-4-(1-phenyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16192111
2-[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723283
2-{1-Methyl-4-[1-(4-methylphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723426
(S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 25032702
1-Benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410884
(R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 44580764
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]pyrrolidin-3-yl}methanol
CID 70767794
1-Phenyl-4-[1-(2-phenylethyl)-4-piperidinyl]piperazine
CID 2846536
1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxybutyl)-
CID 89523

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 28783926) is 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CCN1CCCc1ccccc1.
What is the InChIKey of 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is MBTPYOJVLTYDPO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H36FN3O/c27-25-10-4-5-11-26(25)29-16-12-23(13-17-29)30-19-18-28(24(21-30)14-20-31)15-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,23-24,31H,6,9,12-21H2/t24-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 425.59 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28783926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).