2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol

C26H37N3O2 — CID 45223723

IUPAC2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)cc1C
InChIInChI=1S/C26H37N3O2/c1-21-18-22(8-9-26(21)31-2)19-28-15-16-29(20-25(28)12-17-30)24-10-13-27(14-11-24)23-6-4-3-5-7-23/h3-9,18,24-25,30H,10-17,19-20H2,1-2H3
InChIKeyFTDSCZSTHXZZAY-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.54
Rot. Bonds7

About 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45223723) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45223723
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)cc1C
InChIInChI=1S/C26H37N3O2/c1-21-18-22(8-9-26(21)31-2)19-28-15-16-29(20-25(28)12-17-30)24-10-13-27(14-11-24)23-6-4-3-5-7-23/h3-9,18,24-25,30H,10-17,19-20H2,1-2H3
InChIKeyFTDSCZSTHXZZAY-UHFFFAOYSA-N
XLogP3.54
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45223723) is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(C3CCN(c4ccccc4)CC3)CC2CCO)cc1C.
What is the InChIKey of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is FTDSCZSTHXZZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-21-18-22(8-9-26(21)31-2)19-28-15-16-29(20-25(28)12-17-30)24-10-13-27(14-11-24)23-6-4-3-5-7-23/h3-9,18,24-25,30H,10-17,19-20H2,1-2H3.
What are the key properties of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 423.60 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-(1-phenylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45223723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).