2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C26H37N3O2 — CID 45206216

IUPAC2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(N2CCC(N3CCN(CCc4ccccc4)C(CCO)C3)CC2)c1
InChIInChI=1S/C26H37N3O2/c1-31-26-9-5-8-24(20-26)27-15-11-23(12-16-27)29-18-17-28(25(21-29)13-19-30)14-10-22-6-3-2-4-7-22/h2-9,20,23,25,30H,10-19,21H2,1H3
InChIKeyRTLBXEILTLGVTR-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.28
Rot. Bonds8

About 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 45206216) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID45206216
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1cccc(N2CCC(N3CCN(CCc4ccccc4)C(CCO)C3)CC2)c1
InChIInChI=1S/C26H37N3O2/c1-31-26-9-5-8-24(20-26)27-15-11-23(12-16-27)29-18-17-28(25(21-29)13-19-30)14-10-22-6-3-2-4-7-22/h2-9,20,23,25,30H,10-19,21H2,1H3
InChIKeyRTLBXEILTLGVTR-UHFFFAOYSA-N
XLogP3.28
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-[1-(4-chlorophenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45249187
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98597593
2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98587839
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[(2S)-4-[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 29257681
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[4-(1-phenylpiperidin-4-yl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186559
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002
3-[(3R,4S)-4-(dimethylamino)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanoic acid
CID 72863205
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 98579803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 45206216) is 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is COc1cccc(N2CCC(N3CCN(CCc4ccccc4)C(CCO)C3)CC2)c1.
What is the InChIKey of 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is RTLBXEILTLGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-31-26-9-5-8-24(20-26)27-15-11-23(12-16-27)29-18-17-28(25(21-29)13-19-30)14-10-22-6-3-2-4-7-22/h2-9,20,23,25,30H,10-19,21H2,1H3.
What are the key properties of 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 423.60 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45206216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).