3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine

C16H24FN3O — CID 120849820

IUPAC3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
SMILESFc1cccnc1OC1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H24FN3O/c17-15-4-2-8-19-16(15)21-14-5-9-20(10-6-14)12-13-3-1-7-18-11-13/h2,4,8,13-14,18H,1,3,5-7,9-12H2
InChIKeyBXOXFTAWJSVNHJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds4

About 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine

3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine (PubChem CID 120849820) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
PubChem CID120849820
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
SMILESFc1cccnc1OC1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H24FN3O/c17-15-4-2-8-19-16(15)21-14-5-9-20(10-6-14)12-13-3-1-7-18-11-13/h2,4,8,13-14,18H,1,3,5-7,9-12H2
InChIKeyBXOXFTAWJSVNHJ-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 120849667
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419274
2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68594813
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
CID 120904219

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine?
The IUPAC name of 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine (CID 120849820) is 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine?
The canonical SMILES for 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine is Fc1cccnc1OC1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine?
The InChIKey is BXOXFTAWJSVNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-15-4-2-8-19-16(15)21-14-5-9-20(10-6-14)12-13-3-1-7-18-11-13/h2,4,8,13-14,18H,1,3,5-7,9-12H2.
What are the key properties of 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine?
3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine has a molecular weight of 293.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 120849820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).