N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine

C18H23FN4 — CID 156875168

IUPACN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESC[C@@H]1C[C@H](Nc2nccnc2Cc2ccc(F)cc2)CCN1C
InChIInChI=1S/C18H23FN4/c1-13-11-16(7-10-23(13)2)22-18-17(20-8-9-21-18)12-14-3-5-15(19)6-4-14/h3-6,8-9,13,16H,7,10-12H2,1-2H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyPXBYUGTZNZLDDA-CZUORRHYSA-N
MW314.41 g/mol
LogP3.10
Rot. Bonds4

About N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine

N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 156875168) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID156875168
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESC[C@@H]1C[C@H](Nc2nccnc2Cc2ccc(F)cc2)CCN1C
InChIInChI=1S/C18H23FN4/c1-13-11-16(7-10-23(13)2)22-18-17(20-8-9-21-18)12-14-3-5-15(19)6-4-14/h3-6,8-9,13,16H,7,10-12H2,1-2H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyPXBYUGTZNZLDDA-CZUORRHYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine (CID 156875168) is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine is C[C@@H]1C[C@H](Nc2nccnc2Cc2ccc(F)cc2)CCN1C.
What is the InChIKey of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is PXBYUGTZNZLDDA-CZUORRHYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-13-11-16(7-10-23(13)2)22-18-17(20-8-9-21-18)12-14-3-5-15(19)6-4-14/h3-6,8-9,13,16H,7,10-12H2,1-2H3,(H,21,22)/t13-,16-/m1/s1.
What are the key properties of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine?
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 314.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 156875168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).