[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol

C24H35NO2 — CID 45182194

IUPAC[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCCN(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H35NO2/c26-18-23(8-10-27-22-5-2-1-3-6-22)7-4-9-25(17-23)24-14-19-11-20(15-24)13-21(12-19)16-24/h1-3,5-6,19-21,26H,4,7-18H2
InChIKeyLOORZEQWDYJCBT-UHFFFAOYSA-N
MW369.55 g/mol
LogP4.50
Rot. Bonds6

About [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol

[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol (PubChem CID 45182194) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
PubChem CID45182194
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCCN(C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H35NO2/c26-18-23(8-10-27-22-5-2-1-3-6-22)7-4-9-25(17-23)24-14-19-11-20(15-24)13-21(12-19)16-24/h1-3,5-6,19-21,26H,4,7-18H2
InChIKeyLOORZEQWDYJCBT-UHFFFAOYSA-N
XLogP4.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42565161
methyl 4-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-4-oxobutanoate
CID 26411573
[1-(2-aminopyrimidin-4-yl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 56757600
2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 95191626
[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479565
2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 26407540
[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479616
[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42591222
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 45236488
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
CID 42566482

Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol (CID 45182194) is [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol is OCC1(CCOc2ccccc2)CCCN(C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The InChIKey is LOORZEQWDYJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c26-18-23(8-10-27-22-5-2-1-3-6-22)7-4-9-25(17-23)24-14-19-11-20(15-24)13-21(12-19)16-24/h1-3,5-6,19-21,26H,4,7-18H2.
What are the key properties of [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
[1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol has a molecular weight of 369.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-3-(2-phenoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45182194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).