4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine

C20H24F3N5 — CID 172881564

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccccc1CN1CCN(c2cc(N3CCC(F)(F)CC3)ncn2)CC1
InChIInChI=1S/C20H24F3N5/c21-17-4-2-1-3-16(17)14-26-9-11-28(12-10-26)19-13-18(24-15-25-19)27-7-5-20(22,23)6-8-27/h1-4,13,15H,5-12,14H2
InChIKeyAKXYVHPIURYJGY-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.17
Rot. Bonds4

About 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine

4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 172881564) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID172881564
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccccc1CN1CCN(c2cc(N3CCC(F)(F)CC3)ncn2)CC1
InChIInChI=1S/C20H24F3N5/c21-17-4-2-1-3-16(17)14-26-9-11-28(12-10-26)19-13-18(24-15-25-19)27-7-5-20(22,23)6-8-27/h1-4,13,15H,5-12,14H2
InChIKeyAKXYVHPIURYJGY-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
3-[[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 172881791
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154580986
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
1-(2-bromoethyl)-4-[(2-fluorophenyl)methyl]piperazine
CID 80674131
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 122343153
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 163344168

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine (CID 172881564) is 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is Fc1ccccc1CN1CCN(c2cc(N3CCC(F)(F)CC3)ncn2)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is AKXYVHPIURYJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c21-17-4-2-1-3-16(17)14-26-9-11-28(12-10-26)19-13-18(24-15-25-19)27-7-5-20(22,23)6-8-27/h1-4,13,15H,5-12,14H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine?
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 391.44 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 172881564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).