2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol

C26H36FN3O2 — CID 98586511

IUPAC2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(C2CCN(c3ccccc3F)CC2)C[C@H]1CCO
InChIInChI=1S/C26H36FN3O2/c1-2-32-26-10-6-3-7-21(26)19-29-16-17-30(20-23(29)13-18-31)22-11-14-28(15-12-22)25-9-5-4-8-24(25)27/h3-10,22-23,31H,2,11-20H2,1H3/t23-/m1/s1
InChIKeyLYGKEMWTKLRSCL-HSZRJFAPSA-N
MW441.59 g/mol
LogP3.76
Rot. Bonds8

About 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 98586511) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
PubChem CID98586511
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC Name2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(C2CCN(c3ccccc3F)CC2)C[C@H]1CCO
InChIInChI=1S/C26H36FN3O2/c1-2-32-26-10-6-3-7-21(26)19-29-16-17-30(20-23(29)13-18-31)22-11-14-28(15-12-22)25-9-5-4-8-24(25)27/h3-10,22-23,31H,2,11-20H2,1H3/t23-/m1/s1
InChIKeyLYGKEMWTKLRSCL-HSZRJFAPSA-N
XLogP3.76
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733578
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CID 45228412
ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 51904944
2-[4-[(2-chlorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228561
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CID 45171309
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CID 98572077
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CID 45190546
2-[4-(2-aminopyrimidin-4-yl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 56903348
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 51627130
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 51634123
2-[(2R)-4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol (CID 98586511) is 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol is CCOc1ccccc1CN1CCN(C2CCN(c3ccccc3F)CC2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is LYGKEMWTKLRSCL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36FN3O2/c1-2-32-26-10-6-3-7-21(26)19-29-16-17-30(20-23(29)13-18-31)22-11-14-28(15-12-22)25-9-5-4-8-24(25)27/h3-10,22-23,31H,2,11-20H2,1H3/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 441.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98586511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).