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

C22H29NO2 — CID 126461306

IUPAC[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c24-19-22(14-18-25-21-9-5-2-6-10-21)12-16-23(17-13-22)15-11-20-7-3-1-4-8-20/h1-10,24H,11-19H2
InChIKeyMBWVPYMBVYBSOU-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.77
Rot. Bonds8

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

[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol (PubChem CID 126461306) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
PubChem CID126461306
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H29NO2/c24-19-22(14-18-25-21-9-5-2-6-10-21)12-16-23(17-13-22)15-11-20-7-3-1-4-8-20/h1-10,24H,11-19H2
InChIKeyMBWVPYMBVYBSOU-UHFFFAOYSA-N
XLogP3.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
CID 42566482
[1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 42511894
[1-[(4-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 42558104
1-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 25452779
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56754374
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
4-(phenoxymethyl)-1-(3-phenylpropyl)azepan-4-ol
CID 155990791
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol (CID 126461306) is [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol is OCC1(CCOc2ccccc2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol?
The InChIKey is MBWVPYMBVYBSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c24-19-22(14-18-25-21-9-5-2-6-10-21)12-16-23(17-13-22)15-11-20-7-3-1-4-8-20/h1-10,24H,11-19H2.
What are the key properties of [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol?
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol has a molecular weight of 339.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 126461306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).