1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine

C19H25FN4 — CID 129433668

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
SMILESCc1nccnc1[C@H](C)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H25FN4/c1-14-19(22-10-9-21-14)15(2)23-17-7-11-24(12-8-17)13-16-5-3-4-6-18(16)20/h3-6,9-10,15,17,23H,7-8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyRECHJDNQKBOUMM-HNNXBMFYSA-N
MW328.44 g/mol
LogP3.24
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine

1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine (PubChem CID 129433668) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
PubChem CID129433668
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine
SMILESCc1nccnc1[C@H](C)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H25FN4/c1-14-19(22-10-9-21-14)15(2)23-17-7-11-24(12-8-17)13-16-5-3-4-6-18(16)20/h3-6,9-10,15,17,23H,7-8,11-13H2,1-2H3/t15-/m0/s1
InChIKeyRECHJDNQKBOUMM-HNNXBMFYSA-N
XLogP3.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine (CID 129433668) is 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine is Cc1nccnc1[C@H](C)NC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine?
The InChIKey is RECHJDNQKBOUMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-14-19(22-10-9-21-14)15(2)23-17-7-11-24(12-8-17)13-16-5-3-4-6-18(16)20/h3-6,9-10,15,17,23H,7-8,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine?
1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1S)-1-(3-methylpyrazin-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 129433668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).