3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine

C16H24FN3O — CID 120904219

IUPAC3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
SMILESCC1(CN2CCCC(Oc3ncccc3F)C2)CCNC1
InChIInChI=1S/C16H24FN3O/c1-16(6-8-18-11-16)12-20-9-3-4-13(10-20)21-15-14(17)5-2-7-19-15/h2,5,7,13,18H,3-4,6,8-12H2,1H3
InChIKeyRWAHBFRXYMTPDO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds4

About 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine

3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine (PubChem CID 120904219) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
PubChem CID120904219
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
SMILESCC1(CN2CCCC(Oc3ncccc3F)C2)CCNC1
InChIInChI=1S/C16H24FN3O/c1-16(6-8-18-11-16)12-20-9-3-4-13(10-20)21-15-14(17)5-2-7-19-15/h2,5,7,13,18H,3-4,6,8-12H2,1H3
InChIKeyRWAHBFRXYMTPDO-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine?
The IUPAC name of 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine (CID 120904219) is 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine.
What is the SMILES notation for 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine?
The canonical SMILES for 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine is CC1(CN2CCCC(Oc3ncccc3F)C2)CCNC1.
What is the InChIKey of 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine?
The InChIKey is RWAHBFRXYMTPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-16(6-8-18-11-16)12-20-9-3-4-13(10-20)21-15-14(17)5-2-7-19-15/h2,5,7,13,18H,3-4,6,8-12H2,1H3.
What are the key properties of 3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine?
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-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-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine is sourced from PubChem (CID 120904219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).