1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

C14H23ClFN3O — CID 120849833

IUPAC1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(Oc2ncccc2F)C1.Cl
InChIInChI=1S/C14H22FN3O.ClH/c1-14(2,16)10-18-8-4-5-11(9-18)19-13-12(15)6-3-7-17-13;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H
InChIKeyWXWRJHJJCSFJOL-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.22
Rot. Bonds4

About 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120849833) has the molecular formula C14H23ClFN3O and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120849833
Molecular FormulaC14H23ClFN3O
Molecular Weight303.81 g/mol
Exact Mass303.15
IUPAC Name1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(Oc2ncccc2F)C1.Cl
InChIInChI=1S/C14H22FN3O.ClH/c1-14(2,16)10-18-8-4-5-11(9-18)19-13-12(15)6-3-7-17-13;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H
InChIKeyWXWRJHJJCSFJOL-UHFFFAOYSA-N
XLogP2.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
CID 136537499
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
CID 120904219
(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 124889925
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-[2-(1-aminopiperidin-3-yl)oxy-3-pyridinyl]propan-2-ol
CID 144739553
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120849833) is 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCCC(Oc2ncccc2F)C1.Cl.
What is the InChIKey of 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is WXWRJHJJCSFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O.ClH/c1-14(2,16)10-18-8-4-5-11(9-18)19-13-12(15)6-3-7-17-13;/h3,6-7,11H,4-5,8-10,16H2,1-2H3;1H.
What are the key properties of 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 303.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120849833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).