4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine

C20H24FN3O — CID 119070926

IUPAC4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
SMILESFc1ccc(CC2CCN(c3cc(C4CCOC4)ncn3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c21-18-3-1-15(2-4-18)11-16-5-8-24(9-6-16)20-12-19(22-14-23-20)17-7-10-25-13-17/h1-4,12,14,16-17H,5-11,13H2
InChIKeyRTDSTWLFABOPBV-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.58
Rot. Bonds4

About 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine

4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine (PubChem CID 119070926) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
PubChem CID119070926
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
SMILESFc1ccc(CC2CCN(c3cc(C4CCOC4)ncn3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c21-18-3-1-15(2-4-18)11-16-5-8-24(9-6-16)20-12-19(22-14-23-20)17-7-10-25-13-17/h1-4,12,14,16-17H,5-11,13H2
InChIKeyRTDSTWLFABOPBV-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
1-[4-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451064
1-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451063
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 126440281
1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
CID 126430249
4-(4-benzylpiperidin-1-yl)-6-(4-fluoro-2-methylphenoxy)pyrimidine
CID 83287337
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 118779088
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine (CID 119070926) is 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine is Fc1ccc(CC2CCN(c3cc(C4CCOC4)ncn3)CC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine?
The InChIKey is RTDSTWLFABOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-3-1-15(2-4-18)11-16-5-8-24(9-6-16)20-12-19(22-14-23-20)17-7-10-25-13-17/h1-4,12,14,16-17H,5-11,13H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine?
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine has a molecular weight of 341.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine is sourced from PubChem (CID 119070926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).