2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine

C15H15F2N3 — CID 95846579

IUPAC2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
SMILESFc1ccc(-c2cnc([C@H]3CCCNC3)cn2)cc1F
InChIInChI=1S/C15H15F2N3/c16-12-4-3-10(6-13(12)17)14-8-20-15(9-19-14)11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2/t11-/m0/s1
InChIKeyLDEKTZQDLVVGAG-NSHDSACASA-N
MW275.30 g/mol
LogP2.89
Rot. Bonds2

About 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine

2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine (PubChem CID 95846579) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
PubChem CID95846579
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine
SMILESFc1ccc(-c2cnc([C@H]3CCCNC3)cn2)cc1F
InChIInChI=1S/C15H15F2N3/c16-12-4-3-10(6-13(12)17)14-8-20-15(9-19-14)11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2/t11-/m0/s1
InChIKeyLDEKTZQDLVVGAG-NSHDSACASA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
2-(3,4-difluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110257421
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
4-[5-[(3S)-piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 95825430
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
N-(2,2-difluoroethyl)-5-[(3S)-piperidin-3-yl]pyrazin-2-amine
CID 95846721
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
2-fluoro-5-[(3S)-piperidin-3-yl]aniline
CID 93478585
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine?
The IUPAC name of 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine (CID 95846579) is 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine is Fc1ccc(-c2cnc([C@H]3CCCNC3)cn2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine?
The InChIKey is LDEKTZQDLVVGAG-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F2N3/c16-12-4-3-10(6-13(12)17)14-8-20-15(9-19-14)11-2-1-5-18-7-11/h3-4,6,8-9,11,18H,1-2,5,7H2/t11-/m0/s1.
What are the key properties of 2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine?
2-(3,4-difluorophenyl)-5-[(3S)-piperidin-3-yl]pyrazine has a molecular weight of 275.30 g/mol, XLogP of 2.89, 2 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-[(3S)-piperidin-3-yl]pyrazine is sourced from PubChem (CID 95846579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).