2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine

C16H17F2N3 — CID 110257421

IUPAC2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
SMILESFc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-4-3-12(7-15(14)18)16-10-20-13(9-21-16)6-11-2-1-5-19-8-11/h3-4,7,9-11,19H,1-2,5-6,8H2
InChIKeyCHDPHORNTAKRND-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.96
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine

2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine (PubChem CID 110257421) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
PubChem CID110257421
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
SMILESFc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-4-3-12(7-15(14)18)16-10-20-13(9-21-16)6-11-2-1-5-19-8-11/h3-4,7,9-11,19H,1-2,5-6,8H2
InChIKeyCHDPHORNTAKRND-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
CID 95846579
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
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
4-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzoic acid
CID 110096548
5-fluoro-6-(piperidin-3-ylmethyl)-1H-indole
CID 115003350

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine (CID 110257421) is 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine is Fc1ccc(-c2cnc(CC3CCCNC3)cn2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
The InChIKey is CHDPHORNTAKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-4-3-12(7-15(14)18)16-10-20-13(9-21-16)6-11-2-1-5-19-8-11/h3-4,7,9-11,19H,1-2,5-6,8H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine?
2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine has a molecular weight of 289.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine is sourced from PubChem (CID 110257421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).