5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine

C30H32F2N6O2 — CID 161189658

IUPAC5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
SMILESFc1ccccc1Oc1cnc(N2CCCCC2)nc1.Fc1ccccc1Oc1cnc(N2CCCCC2)nc1
InChIInChI=1S/2C15H16FN3O/c2*16-13-6-2-3-7-14(13)20-12-10-17-15(18-11-12)19-8-4-1-5-9-19/h2*2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyUTNWPEXPCGEKLT-UHFFFAOYSA-N
MW546.62 g/mol
LogP6.80
Rot. Bonds6

About 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine

5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine (PubChem CID 161189658) has the molecular formula C30H32F2N6O2 and a molecular weight of 546.62 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
PubChem CID161189658
Molecular FormulaC30H32F2N6O2
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC Name5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
SMILESFc1ccccc1Oc1cnc(N2CCCCC2)nc1.Fc1ccccc1Oc1cnc(N2CCCCC2)nc1
InChIInChI=1S/2C15H16FN3O/c2*16-13-6-2-3-7-14(13)20-12-10-17-15(18-11-12)19-8-4-1-5-9-19/h2*2-3,6-7,10-11H,1,4-5,8-9H2
InChIKeyUTNWPEXPCGEKLT-UHFFFAOYSA-N
XLogP6.80
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine
CID 117224579
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
2-[2-(1,4-diazepan-1-yl)pyrimidin-5-yl]oxyphenol
CID 117224602
1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
CID 70607093
2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine
CID 117231373
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
2-(2-fluorophenoxy)-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)azetidin-1-yl]ethanone
CID 56764735
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
5-[difluoro(phenyl)methyl]-2-piperidin-1-ylpyrimidine
CID 158502998
2-(2-fluorophenoxy)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]propanamide
CID 122299851
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine (CID 161189658) is 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine is Fc1ccccc1Oc1cnc(N2CCCCC2)nc1.Fc1ccccc1Oc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine?
The InChIKey is UTNWPEXPCGEKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16FN3O/c2*16-13-6-2-3-7-14(13)20-12-10-17-15(18-11-12)19-8-4-1-5-9-19/h2*2-3,6-7,10-11H,1,4-5,8-9H2.
What are the key properties of 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine?
5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine has a molecular weight of 546.62 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 161189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).