1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol

C26H29NO4 — CID 68827727

IUPAC1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol
SMILESOc1ccccc1O[C@@H](CCc1ccc(Oc2ccccc2)cc1)N1CCC(O)CC1
InChIInChI=1S/C26H29NO4/c28-21-16-18-27(19-17-21)26(31-25-9-5-4-8-24(25)29)15-12-20-10-13-23(14-11-20)30-22-6-2-1-3-7-22/h1-11,13-14,21,26,28-29H,12,15-19H2/t26-/m0/s1
InChIKeyUMUBGJQUZWDQOM-SANMLTNESA-N
MW419.52 g/mol
LogP4.98
Rot. Bonds8

About 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol

1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol (PubChem CID 68827727) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol
PubChem CID68827727
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol
SMILESOc1ccccc1O[C@@H](CCc1ccc(Oc2ccccc2)cc1)N1CCC(O)CC1
InChIInChI=1S/C26H29NO4/c28-21-16-18-27(19-17-21)26(31-25-9-5-4-8-24(25)29)15-12-20-10-13-23(14-11-20)30-22-6-2-1-3-7-22/h1-11,13-14,21,26,28-29H,12,15-19H2/t26-/m0/s1
InChIKeyUMUBGJQUZWDQOM-SANMLTNESA-N
XLogP4.98
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenol
CID 127030255
2-[2-[(6,6-Diphenyl-1,4-dioxan-2-yl)methylamino]ethoxy]phenol
CID 137646245
1-(3-Methylpiperidyl)-3-(4-phenylphenoxy)propan-2-ol
CID 16318028
1-Phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 6918489
alpha-(Phenoxymethyl)-4-(4-phenoxyphenyl)-1-piperidineethanol
CID 6918490
2-{4-[3-(Piperidin-1-yl)propoxy]phenyl}ethan-1-ol
CID 11129149
1-(2-(2-Hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-ol
CID 13374981
1-[4-[3-[4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol
CID 14407120
1-{3-[4-(4-Hydroxycyclohexyl)phenoxy]propyl}piperidine
CID 15940927
5-[2-(Dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
CID 18986869
4-[2-(Dipropylamino)ethyl]-2-(2-phenylethoxy)phenol;hydrochloride
CID 18986885
1-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-but-3-en-1-ol
CID 69189076

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol?
The IUPAC name of 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol (CID 68827727) is 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol is Oc1ccccc1O[C@@H](CCc1ccc(Oc2ccccc2)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol?
The InChIKey is UMUBGJQUZWDQOM-SANMLTNESA-N. The full InChI is InChI=1S/C26H29NO4/c28-21-16-18-27(19-17-21)26(31-25-9-5-4-8-24(25)29)15-12-20-10-13-23(14-11-20)30-22-6-2-1-3-7-22/h1-11,13-14,21,26,28-29H,12,15-19H2/t26-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol?
1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol has a molecular weight of 419.52 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-hydroxyphenoxy)-3-(4-phenoxyphenyl)propyl]piperidin-4-ol is sourced from PubChem (CID 68827727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).