1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine

C14H22FN3 — CID 112586259

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CN1CCCCC1)C(N)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3/c1-11(10-18-7-3-2-4-8-18)14(16)13-6-5-12(15)9-17-13/h5-6,9,11,14H,2-4,7-8,10,16H2,1H3
InChIKeyQTWZLXPIMVNLJL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.34
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 112586259) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID112586259
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CN1CCCCC1)C(N)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3/c1-11(10-18-7-3-2-4-8-18)14(16)13-6-5-12(15)9-17-13/h5-6,9,11,14H,2-4,7-8,10,16H2,1H3
InChIKeyQTWZLXPIMVNLJL-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-amine
CID 107395114
3-(3,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941117
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-methyl-3-(2-methylmorpholin-4-yl)propan-1-amine
CID 112586255
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115941126
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
3-(4,4-dimethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941620
3-(2,5-dimethylmorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-amine
CID 115941213
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 112586259) is 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine is CC(CN1CCCCC1)C(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is QTWZLXPIMVNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-11(10-18-7-3-2-4-8-18)14(16)13-6-5-12(15)9-17-13/h5-6,9,11,14H,2-4,7-8,10,16H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 112586259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).