(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol

C25H37NO2 — CID 41493464

IUPAC(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
SMILESO[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H37NO2/c27-24(18-28-25-14-21-11-22(15-25)13-23(12-21)16-25)17-26-8-6-20(7-9-26)10-19-4-2-1-3-5-19/h1-5,20-24,27H,6-18H2/t21?,22?,23?,24-,25?/m1/s1
InChIKeyVJUUVEOHITUAOC-NIRFSVBPSA-N
MW383.58 g/mol
LogP4.29
Rot. Bonds7

About (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol

(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol (PubChem CID 41493464) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
PubChem CID41493464
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol
SMILESO[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H37NO2/c27-24(18-28-25-14-21-11-22(15-25)13-23(12-21)16-25)17-26-8-6-20(7-9-26)10-19-4-2-1-3-5-19/h1-5,20-24,27H,6-18H2/t21?,22?,23?,24-,25?/m1/s1
InChIKeyVJUUVEOHITUAOC-NIRFSVBPSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
1-(1-adamantyloxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 16804888
(2R)-1-(4-benzylpiperidin-1-yl)-3-[[(1S,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98142661
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 7386899
1-(4-benzylpiperidin-1-yl)-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 3404653
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
1-(4-benzylpiperidin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053104
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;hydrochloride
CID 16806975
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol (CID 41493464) is (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol is O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol?
The InChIKey is VJUUVEOHITUAOC-NIRFSVBPSA-N. The full InChI is InChI=1S/C25H37NO2/c27-24(18-28-25-14-21-11-22(15-25)13-23(12-21)16-25)17-26-8-6-20(7-9-26)10-19-4-2-1-3-5-19/h1-5,20-24,27H,6-18H2/t21?,22?,23?,24-,25?/m1/s1.
What are the key properties of (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol?
(2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol has a molecular weight of 383.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-adamantyloxy)-3-(4-benzylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 41493464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).