2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine

C18H28FN5O — CID 59506091

IUPAC2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(OC3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C18H28FN5O/c19-15-11-21-18(22-12-15)24-7-3-17(4-8-24)25-16-1-5-23(6-2-16)13-14-9-20-10-14/h11-12,14,16-17,20H,1-10,13H2
InChIKeyYNCOZYVZSQRYIK-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine

2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine (PubChem CID 59506091) has the molecular formula C18H28FN5O and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine
PubChem CID59506091
Molecular FormulaC18H28FN5O
Molecular Weight349.45 g/mol
Exact Mass349.23
IUPAC Name2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(OC3CCN(CC4CNC4)CC3)CC2)nc1
InChIInChI=1S/C18H28FN5O/c19-15-11-21-18(22-12-15)24-7-3-17(4-8-24)25-16-1-5-23(6-2-16)13-14-9-20-10-14/h11-12,14,16-17,20H,1-10,13H2
InChIKeyYNCOZYVZSQRYIK-UHFFFAOYSA-N
XLogP1.28
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine (CID 59506091) is 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine is Fc1cnc(N2CCC(OC3CCN(CC4CNC4)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is YNCOZYVZSQRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O/c19-15-11-21-18(22-12-15)24-7-3-17(4-8-24)25-16-1-5-23(6-2-16)13-14-9-20-10-14/h11-12,14,16-17,20H,1-10,13H2.
What are the key properties of 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine?
2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 349.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(azetidin-3-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 59506091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).