1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol

C15H22N2O — CID 112680813

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol
SMILESCN1C2CCC1CC(C(O)Cc1ccncc1)C2
InChIInChI=1S/C15H22N2O/c1-17-13-2-3-14(17)10-12(9-13)15(18)8-11-4-6-16-7-5-11/h4-7,12-15,18H,2-3,8-10H2,1H3
InChIKeyGPJDTQQSCJFMTB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds3

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol (PubChem CID 112680813) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol
PubChem CID112680813
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol
SMILESCN1C2CCC1CC(C(O)Cc1ccncc1)C2
InChIInChI=1S/C15H22N2O/c1-17-13-2-3-14(17)10-12(9-13)15(18)8-11-4-6-16-7-5-11/h4-7,12-15,18H,2-3,8-10H2,1H3
InChIKeyGPJDTQQSCJFMTB-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metyrapol
CID 161210
Venoterpine
CID 5315179
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
3-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]pyridine
CID 44345019
3-[(2S,4S)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 44345223
2-[5-(1-Methylpyrrolidin-2-yl)-2-pyridinyl]-1-phenylethanol
CID 44399089
(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 49780189
trans-(1R,2R)-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
CID 122181170

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol (CID 112680813) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol is CN1C2CCC1CC(C(O)Cc1ccncc1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol?
The InChIKey is GPJDTQQSCJFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-13-2-3-14(17)10-12(9-13)15(18)8-11-4-6-16-7-5-11/h4-7,12-15,18H,2-3,8-10H2,1H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol has a molecular weight of 246.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 112680813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).