[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol

C18H22FN3O2 — CID 95188002

IUPAC[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
SMILESCOc1nccnc1N1CCC[C@](CO)(Cc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O2/c1-24-17-16(20-8-9-21-17)22-10-4-7-18(12-22,13-23)11-14-5-2-3-6-15(14)19/h2-3,5-6,8-9,23H,4,7,10-13H2,1H3/t18-/m0/s1
InChIKeyPGIWZAPCHCWTQG-SFHVURJKSA-N
MW331.39 g/mol
LogP2.45
Rot. Bonds5

About [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol

[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol (PubChem CID 95188002) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
PubChem CID95188002
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
SMILESCOc1nccnc1N1CCC[C@](CO)(Cc2ccccc2F)C1
InChIInChI=1S/C18H22FN3O2/c1-24-17-16(20-8-9-21-17)22-10-4-7-18(12-22,13-23)11-14-5-2-3-6-15(14)19/h2-3,5-6,8-9,23H,4,7,10-13H2,1H3/t18-/m0/s1
InChIKeyPGIWZAPCHCWTQG-SFHVURJKSA-N
XLogP2.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[(2,4-difluorophenyl)methyl]-1-isoquinolin-1-ylpiperidin-3-yl]methanol
CID 95192495
[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95196902
2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 56752776
[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56738717
2-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95230570
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
1-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pentane-1,4-dione
CID 45176565
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
[(3S)-3-[(2,4-difluorophenyl)methyl]-1-(2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95190698
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
1-[(3S)-3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42593289

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol (CID 95188002) is [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol is COc1nccnc1N1CCC[C@](CO)(Cc2ccccc2F)C1.
What is the InChIKey of [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol?
The InChIKey is PGIWZAPCHCWTQG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-17-16(20-8-9-21-17)22-10-4-7-18(12-22,13-23)11-14-5-2-3-6-15(14)19/h2-3,5-6,8-9,23H,4,7,10-13H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol?
[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol has a molecular weight of 331.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 95188002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).