[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

C24H33NO3 — CID 45219357

IUPAC[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCOc1ccccc1CC(C)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C24H33NO3/c1-20(18-21-8-6-7-11-23(21)27-2)25-15-12-24(19-26,13-16-25)14-17-28-22-9-4-3-5-10-22/h3-11,20,26H,12-19H2,1-2H3
InChIKeyKEOQTBXFIRQDGF-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.17
Rot. Bonds9

About [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 45219357) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID45219357
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCOc1ccccc1CC(C)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C24H33NO3/c1-20(18-21-8-6-7-11-23(21)27-2)25-15-12-24(19-26,13-16-25)14-17-28-22-9-4-3-5-10-22/h3-11,20,26H,12-19H2,1-2H3
InChIKeyKEOQTBXFIRQDGF-UHFFFAOYSA-N
XLogP4.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 45219357) is [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is COc1ccccc1CC(C)N1CCC(CO)(CCOc2ccccc2)CC1.
What is the InChIKey of [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is KEOQTBXFIRQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-20(18-21-8-6-7-11-23(21)27-2)25-15-12-24(19-26,13-16-25)14-17-28-22-9-4-3-5-10-22/h3-11,20,26H,12-19H2,1-2H3.
What are the key properties of [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 383.53 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methoxyphenyl)propan-2-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 45219357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).