1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol

C19H23NO3 — CID 23294468

IUPAC1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
SMILESOc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO3/c21-17-6-8-18(9-7-17)23-15-14-20-12-10-19(22,11-13-20)16-4-2-1-3-5-16/h1-9,21-22H,10-15H2
InChIKeyHLRPMRYCVFOAIT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol

1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol (PubChem CID 23294468) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
PubChem CID23294468
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
SMILESOc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23NO3/c21-17-6-8-18(9-7-17)23-15-14-20-12-10-19(22,11-13-20)16-4-2-1-3-5-16/h1-9,21-22H,10-15H2
InChIKeyHLRPMRYCVFOAIT-UHFFFAOYSA-N
XLogP2.75
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
(3S,4S)-4-benzyl-1-[2-(4-hydroxyphenoxy)ethyl]piperidine-3,4-diol
CID 10154506
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
CID 3021337
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]-4-(4-bromophenyl)piperidin-4-ol
CID 11168454
N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
CID 70045573
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol (CID 23294468) is 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol is Oc1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol?
The InChIKey is HLRPMRYCVFOAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-17-6-8-18(9-7-17)23-15-14-20-12-10-19(22,11-13-20)16-4-2-1-3-5-16/h1-9,21-22H,10-15H2.
What are the key properties of 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol?
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol has a molecular weight of 313.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 23294468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).