2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine

C18H23N3O — CID 124617418

IUPAC2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine
SMILESC[C@@H](c1cnccn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-15(18-13-19-9-10-20-18)21-11-7-17(8-12-21)22-14-16-5-3-2-4-6-16/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3/t15-/m0/s1
InChIKeyINNXQXFZVMPKGH-HNNXBMFYSA-N
MW297.40 g/mol
LogP3.22
Rot. Bonds5

About 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine

2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine (PubChem CID 124617418) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine.

Molecular Properties

Compound Name2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine
PubChem CID124617418
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine
SMILESC[C@@H](c1cnccn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H23N3O/c1-15(18-13-19-9-10-20-18)21-11-7-17(8-12-21)22-14-16-5-3-2-4-6-16/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3/t15-/m0/s1
InChIKeyINNXQXFZVMPKGH-HNNXBMFYSA-N
XLogP3.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
3-ethyl-1-(1-pyrazin-2-ylethyl)piperidin-4-amine
CID 81458622
(3R)-1-[(1R)-1-pyrazin-2-ylethyl]pyrrolidin-3-amine
CID 97162216
[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 98085597
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]ethanamine
CID 70668538
cyclobutyloxymethylbenzene;1-methylpyrazole-4-carboxylic acid
CID 169144832
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-[[4-(1-pyrazin-2-ylethyl)piperazin-1-yl]methyl]benzonitrile
CID 175854722
5-[(4-phenylmethoxypiperidin-1-yl)methyl]quinoxaline
CID 56901960

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine?
The IUPAC name of 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine (CID 124617418) is 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine.
What is the SMILES notation for 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine?
The canonical SMILES for 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine is C[C@@H](c1cnccn1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine?
The InChIKey is INNXQXFZVMPKGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15(18-13-19-9-10-20-18)21-11-7-17(8-12-21)22-14-16-5-3-2-4-6-16/h2-6,9-10,13,15,17H,7-8,11-12,14H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine?
2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-phenylmethoxypiperidin-1-yl)ethyl]pyrazine is sourced from PubChem (CID 124617418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).