1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride

C24H35ClNO2- — CID 21237453

IUPAC1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1.[Cl-]
InChIInChI=1S/C24H35NO2.ClH/c26-22(16-25-8-2-1-3-9-25)17-27-23-6-4-21(5-7-23)24-13-18-10-19(14-24)12-20(11-18)15-24;/h4-7,18-20,22,26H,1-3,8-17H2;1H/p-1
InChIKeyXAAPDJDEQUCOGM-UHFFFAOYSA-M
MW405.00 g/mol
LogP1.38
Rot. Bonds6

About 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride

1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride (PubChem CID 21237453) has the molecular formula C24H35ClNO2- and a molecular weight of 405.00 g/mol. Its IUPAC name is 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride.

Molecular Properties

Compound Name1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
PubChem CID21237453
Molecular FormulaC24H35ClNO2-
Molecular Weight405.00 g/mol
Exact Mass404.24
IUPAC Name1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride
SMILESOC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1.[Cl-]
InChIInChI=1S/C24H35NO2.ClH/c26-22(16-25-8-2-1-3-9-25)17-27-23-6-4-21(5-7-23)24-13-18-10-19(14-24)12-20(11-18)15-24;/h4-7,18-20,22,26H,1-3,8-17H2;1H/p-1
InChIKeyXAAPDJDEQUCOGM-UHFFFAOYSA-M
XLogP1.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.00
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ylpropan-2-ol chloride
CID 21237452
4-[4-(1-adamantyl)phenoxy]-1-piperidin-1-ylbutan-2-ol
CID 130269238
(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-[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-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461
(2S)-1-[4-(1-adamantyl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28640274
(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
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride?
The IUPAC name of 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride (CID 21237453) is 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride.
What is the SMILES notation for 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride?
The canonical SMILES for 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride is OC(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1.[Cl-].
What is the InChIKey of 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride?
The InChIKey is XAAPDJDEQUCOGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H35NO2.ClH/c26-22(16-25-8-2-1-3-9-25)17-27-23-6-4-21(5-7-23)24-13-18-10-19(14-24)12-20(11-18)15-24;/h4-7,18-20,22,26H,1-3,8-17H2;1H/p-1.
What are the key properties of 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride?
1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride has a molecular weight of 405.00 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-adamantyl)phenoxy]-3-piperidin-1-ylpropan-2-ol chloride is sourced from PubChem (CID 21237453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).