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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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(2R)-1-(2-methylimidazol-1-yl)propan-2-yl]piperidin-4-amine
CID 125438218
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
CID 94797005
2-methyl-1-[4-[1-(3-methylpyrazin-2-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 102612429
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 122565641
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675

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).