4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine

C18H20FN3O — CID 70712024

IUPAC4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
SMILESFc1ccc(OC2CCN(c3cc(C4CC4)ncn3)CC2)cc1
InChIInChI=1S/C18H20FN3O/c19-14-3-5-15(6-4-14)23-16-7-9-22(10-8-16)18-11-17(13-1-2-13)20-12-21-18/h3-6,11-13,16H,1-2,7-10H2
InChIKeyJEAJVOICAAKHSB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.54
Rot. Bonds4

About 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine

4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine (PubChem CID 70712024) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
PubChem CID70712024
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
SMILESFc1ccc(OC2CCN(c3cc(C4CC4)ncn3)CC2)cc1
InChIInChI=1S/C18H20FN3O/c19-14-3-5-15(6-4-14)23-16-7-9-22(10-8-16)18-11-17(13-1-2-13)20-12-21-18/h3-6,11-13,16H,1-2,7-10H2
InChIKeyJEAJVOICAAKHSB-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine (CID 70712024) is 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine is Fc1ccc(OC2CCN(c3cc(C4CC4)ncn3)CC2)cc1.
What is the InChIKey of 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine?
The InChIKey is JEAJVOICAAKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-3-5-15(6-4-14)23-16-7-9-22(10-8-16)18-11-17(13-1-2-13)20-12-21-18/h3-6,11-13,16H,1-2,7-10H2.
What are the key properties of 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine has a molecular weight of 313.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).