5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine

C19H30FN5O — CID 59506086

IUPAC5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine
SMILESCN1CC(CN2CCC(OC3CCN(c4ncc(F)cn4)CC3)CC2)C1
InChIInChI=1S/C19H30FN5O/c1-23-12-15(13-23)14-24-6-2-17(3-7-24)26-18-4-8-25(9-5-18)19-21-10-16(20)11-22-19/h10-11,15,17-18H,2-9,12-14H2,1H3
InChIKeyMHQMXCJMKVVONB-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.63
Rot. Bonds5

About 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine

5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine (PubChem CID 59506086) has the molecular formula C19H30FN5O and a molecular weight of 363.48 g/mol. Its IUPAC name is 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine
PubChem CID59506086
Molecular FormulaC19H30FN5O
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Name5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine
SMILESCN1CC(CN2CCC(OC3CCN(c4ncc(F)cn4)CC3)CC2)C1
InChIInChI=1S/C19H30FN5O/c1-23-12-15(13-23)14-24-6-2-17(3-7-24)26-18-4-8-25(9-5-18)19-21-10-16(20)11-22-19/h10-11,15,17-18H,2-9,12-14H2,1H3
InChIKeyMHQMXCJMKVVONB-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine (CID 59506086) is 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine is CN1CC(CN2CCC(OC3CCN(c4ncc(F)cn4)CC3)CC2)C1.
What is the InChIKey of 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine?
The InChIKey is MHQMXCJMKVVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O/c1-23-12-15(13-23)14-24-6-2-17(3-7-24)26-18-4-8-25(9-5-18)19-21-10-16(20)11-22-19/h10-11,15,17-18H,2-9,12-14H2,1H3.
What are the key properties of 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine?
5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine has a molecular weight of 363.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 59506086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).