[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol

C15H21FN2O — CID 105382933

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCCC3CCCCC32)c1F
InChIInChI=1S/C15H21FN2O/c16-14-12(10-19)7-8-17-15(14)18-9-3-5-11-4-1-2-6-13(11)18/h7-8,11,13,19H,1-6,9-10H2
InChIKeyFTRHLUXUZJFUQB-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.87
Rot. Bonds2

About [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol (PubChem CID 105382933) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol
PubChem CID105382933
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol
SMILESOCc1ccnc(N2CCCC3CCCCC32)c1F
InChIInChI=1S/C15H21FN2O/c16-14-12(10-19)7-8-17-15(14)18-9-3-5-11-4-1-2-6-13(11)18/h7-8,11,13,19H,1-6,9-10H2
InChIKeyFTRHLUXUZJFUQB-UHFFFAOYSA-N
XLogP2.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol with MolForge

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Related Compounds

[2-(2-cyclopentylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383020
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207
(4aS,8aR)-1-(3-chloropyrazin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129413710
(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
CID 105382896
1-[3-(chloromethyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319793
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
CID 105383470
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
[3-fluoro-2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanol
CID 105382959
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105383174
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 114920343

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol (CID 105382933) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol is OCc1ccnc(N2CCCC3CCCCC32)c1F.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol?
The InChIKey is FTRHLUXUZJFUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-12(10-19)7-8-17-15(14)18-9-3-5-11-4-1-2-6-13(11)18/h7-8,11,13,19H,1-6,9-10H2.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol?
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol has a molecular weight of 264.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 105382933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).