2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine

C16H18FN3 — CID 110270443

IUPAC2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
SMILESFc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1
InChIInChI=1S/C16H18FN3/c17-14-5-3-13(4-6-14)16-11-19-15(10-20-16)8-12-2-1-7-18-9-12/h3-6,10-12,18H,1-2,7-9H2
InChIKeyJRTKSJGZDUNABQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine

2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine (PubChem CID 110270443) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
PubChem CID110270443
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
SMILESFc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1
InChIInChI=1S/C16H18FN3/c17-14-5-3-13(4-6-14)16-11-19-15(10-20-16)8-12-2-1-7-18-9-12/h3-6,10-12,18H,1-2,7-9H2
InChIKeyJRTKSJGZDUNABQ-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110257421
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
CID 110257586
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
2-[[(3S)-piperidin-3-yl]methyl]-5-(2-propylpyrazol-3-yl)pyrazine
CID 124976993
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
(4R)-4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 125014341
4-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzoic acid
CID 110096548
4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 110090064
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine (CID 110270443) is 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine is Fc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The InChIKey is JRTKSJGZDUNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-14-5-3-13(4-6-14)16-11-19-15(10-20-16)8-12-2-1-7-18-9-12/h3-6,10-12,18H,1-2,7-9H2.
What are the key properties of 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine has a molecular weight of 271.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine is sourced from PubChem (CID 110270443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).