4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol

C25H37NO2 — CID 130269238

IUPAC4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
SMILESOC(CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1
InChIInChI=1S/C25H37NO2/c27-23(18-26-9-2-1-3-10-26)8-11-28-24-6-4-22(5-7-24)25-15-19-12-20(16-25)14-21(13-19)17-25/h4-7,19-21,23,27H,1-3,8-18H2
InChIKeyWXBIGTCWZWKGGP-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.77
Rot. Bonds7

About 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol

4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol (PubChem CID 130269238) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
PubChem CID130269238
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
SMILESOC(CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1
InChIInChI=1S/C25H37NO2/c27-23(18-26-9-2-1-3-10-26)8-11-28-24-6-4-22(5-7-24)25-15-19-12-20(16-25)14-21(13-19)17-25/h4-7,19-21,23,27H,1-3,8-18H2
InChIKeyWXBIGTCWZWKGGP-UHFFFAOYSA-N
XLogP4.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
CID 21237453
(2S)-1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 7058360
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7120853
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
CID 21237452
1-[4-(1-adamantyl)phenoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16806820
1-[4-(1-adamantyl)phenoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2921756
1-(4-methylpiperidin-1-yl)-4-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]butan-2-ol
CID 130269308
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28640274
1-[4-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 30930085
(2R)-1-[4-(1-adamantyl)phenoxy]-3-(1-methylazepan-1-ium-1-yl)propan-2-ol
CID 27452544
(2S)-1-[4-(3-ethyl-1-adamantyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 130247773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol?
The IUPAC name of 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol (CID 130269238) is 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol is OC(CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1.
What is the InChIKey of 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol?
The InChIKey is WXBIGTCWZWKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c27-23(18-26-9-2-1-3-10-26)8-11-28-24-6-4-22(5-7-24)25-15-19-12-20(16-25)14-21(13-19)17-25/h4-7,19-21,23,27H,1-3,8-18H2.
What are the key properties of 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol?
4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol has a molecular weight of 383.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 130269238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).