4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol

C20H25NO2 — CID 54121701

IUPAC4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol
SMILESCc1cccc(C2CCN(CCOc3ccccc3)CC2O)c1
InChIInChI=1S/C20H25NO2/c1-16-6-5-7-17(14-16)19-10-11-21(15-20(19)22)12-13-23-18-8-3-2-4-9-18/h2-9,14,19-20,22H,10-13,15H2,1H3
InChIKeyNOEAFFNHSLTWNT-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.22
Rot. Bonds5

About 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol

4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol (PubChem CID 54121701) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol
PubChem CID54121701
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol
SMILESCc1cccc(C2CCN(CCOc3ccccc3)CC2O)c1
InChIInChI=1S/C20H25NO2/c1-16-6-5-7-17(14-16)19-10-11-21(15-20(19)22)12-13-23-18-8-3-2-4-9-18/h2-9,14,19-20,22H,10-13,15H2,1H3
InChIKeyNOEAFFNHSLTWNT-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
CID 154739482
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512965
(3S,4R)-4-(hydroxymethyl)-1-(4-phenoxybutyl)piperidin-3-ol
CID 155510034
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131
3-[2-(4-hydroxy-3-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 114679124

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol?
The IUPAC name of 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol (CID 54121701) is 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol.
What is the SMILES notation for 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol?
The canonical SMILES for 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol is Cc1cccc(C2CCN(CCOc3ccccc3)CC2O)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol?
The InChIKey is NOEAFFNHSLTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-6-5-7-17(14-16)19-10-11-21(15-20(19)22)12-13-23-18-8-3-2-4-9-18/h2-9,14,19-20,22H,10-13,15H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol?
4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol has a molecular weight of 311.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol is sourced from PubChem (CID 54121701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).