2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine

C16H17ClFN3O — CID 136537499

IUPAC2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
SMILESFc1cccnc1OC1CCCN(Cc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H17ClFN3O/c17-12-5-6-13(20-9-12)10-21-8-2-3-14(11-21)22-16-15(18)4-1-7-19-16/h1,4-7,9,14H,2-3,8,10-11H2
InChIKeyVWJLKVBZVXDSQS-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.31
Rot. Bonds4

About 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine

2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine (PubChem CID 136537499) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
PubChem CID136537499
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
SMILESFc1cccnc1OC1CCCN(Cc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H17ClFN3O/c17-12-5-6-13(20-9-12)10-21-8-2-3-14(11-21)22-16-15(18)4-1-7-19-16/h1,4-7,9,14H,2-3,8,10-11H2
InChIKeyVWJLKVBZVXDSQS-UHFFFAOYSA-N
XLogP3.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120849833
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 124889925
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
CID 120904219
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
5-chloro-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]oxypyridine
CID 99637249
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122
3-[[3-[(3-fluoro-2-pyridinyl)oxy]piperidine-1-carbonyl]amino]propanoic acid
CID 122018323
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419621
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine?
The IUPAC name of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine (CID 136537499) is 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine.
What is the SMILES notation for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine?
The canonical SMILES for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine is Fc1cccnc1OC1CCCN(Cc2ccc(Cl)cn2)C1.
What is the InChIKey of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine?
The InChIKey is VWJLKVBZVXDSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-12-5-6-13(20-9-12)10-21-8-2-3-14(11-21)22-16-15(18)4-1-7-19-16/h1,4-7,9,14H,2-3,8,10-11H2.
What are the key properties of 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine?
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine has a molecular weight of 321.78 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine is sourced from PubChem (CID 136537499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).