2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol

C16H25NO2 — CID 94409239

IUPAC2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
SMILESCc1cccc(OCCN2CCC[C@@H](CCO)C2)c1
InChIInChI=1S/C16H25NO2/c1-14-4-2-6-16(12-14)19-11-9-17-8-3-5-15(13-17)7-10-18/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3/t15-/m0/s1
InChIKeyJEGJFUJQRIVIQV-HNNXBMFYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds6

About 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol

2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol (PubChem CID 94409239) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
PubChem CID94409239
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
SMILESCc1cccc(OCCN2CCC[C@@H](CCO)C2)c1
InChIInChI=1S/C16H25NO2/c1-14-4-2-6-16(12-14)19-11-9-17-8-3-5-15(13-17)7-10-18/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3/t15-/m0/s1
InChIKeyJEGJFUJQRIVIQV-HNNXBMFYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylphenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235633
1-(cyclohexylmethyl)-4-[2-(3-methylphenoxy)ethyl]-1,4-diazepane
CID 52690010
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512965
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
1-[2-(3-methylphenoxy)ethyl]pyrrolidine-3-sulfonamide
CID 154739482
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-methyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 134055131

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol (CID 94409239) is 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol is Cc1cccc(OCCN2CCC[C@@H](CCO)C2)c1.
What is the InChIKey of 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol?
The InChIKey is JEGJFUJQRIVIQV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-4-2-6-16(12-14)19-11-9-17-8-3-5-15(13-17)7-10-18/h2,4,6,12,15,18H,3,5,7-11,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol?
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 94409239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).