1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol

C18H25NO — CID 79995222

IUPAC1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1ccccn1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO/c20-17(8-16-3-1-2-4-19-16)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-12H2
InChIKeyMCWVFTSFJMWOKC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.59
Rot. Bonds4

About 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol

1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol (PubChem CID 79995222) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol
PubChem CID79995222
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol
SMILESOC(Cc1ccccn1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25NO/c20-17(8-16-3-1-2-4-19-16)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-12H2
InChIKeyMCWVFTSFJMWOKC-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylmethyl)pyridine
CID 584969
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
1-(1-adamantyl)-N-(pyridin-2-ylmethyl)ethanamine;dihydrochloride
CID 163327971
1-(1-adamantylamino)-3-pyridin-2-ylpropan-2-one
CID 158709731
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
CID 115810990
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
2-(1-adamantyl)-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755936
3-(1-adamantyl)-1,1-bis(pyridin-2-ylmethyl)thiourea
CID 23736254
1,2-dipyridin-2-ylethanol
CID 11458306
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842
2-pyridin-2-yl-1-(thian-2-yl)ethanol
CID 80622096

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol (CID 79995222) is 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol is OC(Cc1ccccn1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol?
The InChIKey is MCWVFTSFJMWOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17(8-16-3-1-2-4-19-16)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15,17,20H,5-12H2.
What are the key properties of 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol?
1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 79995222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).