3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine

C16H26FN3 — CID 115941117

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
SMILESCC1CC(C)CN(CC(C)C(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3/c1-11-6-12(2)9-20(8-11)10-13(3)16(18)15-5-4-14(17)7-19-15/h4-5,7,11-13,16H,6,8-10,18H2,1-3H3
InChIKeyNEURSAWHROAPMJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.83
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine

3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 115941117) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
PubChem CID115941117
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
SMILESCC1CC(C)CN(CC(C)C(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3/c1-11-6-12(2)9-20(8-11)10-13(3)16(18)15-5-4-14(17)7-19-15/h4-5,7,11-13,16H,6,8-10,18H2,1-3H3
InChIKeyNEURSAWHROAPMJ-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 112586259
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
3-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941444
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
CID 107395114
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 115941386
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
1-(5-fluoro-2-pyridinyl)-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 115941592
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
3-(2,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126303

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine (CID 115941117) is 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine is CC1CC(C)CN(CC(C)C(N)c2ccc(F)cn2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is NEURSAWHROAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11-6-12(2)9-20(8-11)10-13(3)16(18)15-5-4-14(17)7-19-15/h4-5,7,11-13,16H,6,8-10,18H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine?
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115941117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).