(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine

C23H25FN4 — CID 25382358

IUPAC(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
SMILESCc1ccccc1-c1ncc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C23H25FN4/c1-17-5-2-3-7-22(17)23-25-13-18(14-26-23)15-28-12-4-6-21(16-28)27-20-10-8-19(24)9-11-20/h2-3,5,7-11,13-14,21,27H,4,6,12,15-16H2,1H3/t21-/m0/s1
InChIKeyQVOPCOAJHKBAGE-NRFANRHFSA-N
MW376.48 g/mol
LogP4.67
Rot. Bonds5

About (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine

(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine (PubChem CID 25382358) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
PubChem CID25382358
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
SMILESCc1ccccc1-c1ncc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cn1
InChIInChI=1S/C23H25FN4/c1-17-5-2-3-7-22(17)23-25-13-18(14-26-23)15-28-12-4-6-21(16-28)27-20-10-8-19(24)9-11-20/h2-3,5,7-11,13-14,21,27H,4,6,12,15-16H2,1H3/t21-/m0/s1
InChIKeyQVOPCOAJHKBAGE-NRFANRHFSA-N
XLogP4.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,3-benzodioxol-5-yl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
CID 42521884
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
2-[2-[[(3S)-3-(4-fluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26335964
(8aR)-2-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99933028
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51903451
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25381174
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine (CID 25382358) is (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine is Cc1ccccc1-c1ncc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cn1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine?
The InChIKey is QVOPCOAJHKBAGE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25FN4/c1-17-5-2-3-7-22(17)23-25-13-18(14-26-23)15-28-12-4-6-21(16-28)27-20-10-8-19(24)9-11-20/h2-3,5,7-11,13-14,21,27H,4,6,12,15-16H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine?
(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine has a molecular weight of 376.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 25382358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).