2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol

C18H23N3O2 — CID 110256162

IUPAC2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cccc(Oc2cncc(C3CCCN(CCO)C3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-14-4-2-6-16(10-14)23-18-12-19-11-17(20-18)15-5-3-7-21(13-15)8-9-22/h2,4,6,10-12,15,22H,3,5,7-9,13H2,1H3
InChIKeyPHSZFTJAXCXPTK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds5

About 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol

2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol (PubChem CID 110256162) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
PubChem CID110256162
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cccc(Oc2cncc(C3CCCN(CCO)C3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-14-4-2-6-16(10-14)23-18-12-19-11-17(20-18)15-5-3-7-21(13-15)8-9-22/h2,4,6,10-12,15,22H,3,5,7-9,13H2,1H3
InChIKeyPHSZFTJAXCXPTK-UHFFFAOYSA-N
XLogP2.75
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
(4-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 132767695
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
[3-(imidazol-1-ylmethyl)phenyl]-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 129457810

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol (CID 110256162) is 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol is Cc1cccc(Oc2cncc(C3CCCN(CCO)C3)n2)c1.
What is the InChIKey of 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is PHSZFTJAXCXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-4-2-6-16(10-14)23-18-12-19-11-17(20-18)15-5-3-7-21(13-15)8-9-22/h2,4,6,10-12,15,22H,3,5,7-9,13H2,1H3.
What are the key properties of 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol?
2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 313.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110256162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).