N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

C16H26FN3 — CID 105388870

IUPACN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CC(C)CN(c2nccc(CNC(C)C)c2F)C1
InChIInChI=1S/C16H26FN3/c1-11(2)19-8-14-5-6-18-16(15(14)17)20-9-12(3)7-13(4)10-20/h5-6,11-13,19H,7-10H2,1-4H3
InChIKeyMPWLKWWJAOLHEF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.20
Rot. Bonds4

About N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105388870) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
PubChem CID105388870
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC1CC(C)CN(c2nccc(CNC(C)C)c2F)C1
InChIInChI=1S/C16H26FN3/c1-11(2)19-8-14-5-6-18-16(15(14)17)20-9-12(3)7-13(4)10-20/h5-6,11-13,19H,7-10H2,1-4H3
InChIKeyMPWLKWWJAOLHEF-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388871
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
N-[[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105389973
N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390492
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
N-[[3-fluoro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388775
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390657
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388865
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (CID 105388870) is N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is CC1CC(C)CN(c2nccc(CNC(C)C)c2F)C1.
What is the InChIKey of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is MPWLKWWJAOLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11(2)19-8-14-5-6-18-16(15(14)17)20-9-12(3)7-13(4)10-20/h5-6,11-13,19H,7-10H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105388870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).