4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

C21H27FN4O — CID 16674121

IUPAC4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C21H27FN4O/c22-19-7-3-2-6-18(19)21(27)8-12-25(13-9-21)16-17-14-23-20(24-15-17)26-10-4-1-5-11-26/h2-3,6-7,14-15,27H,1,4-5,8-13,16H2
InChIKeyVZOFNSFODIYKKD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.09
Rot. Bonds4

About 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (PubChem CID 16674121) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
PubChem CID16674121
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C21H27FN4O/c22-19-7-3-2-6-18(19)21(27)8-12-25(13-9-21)16-17-14-23-20(24-15-17)26-10-4-1-5-11-26/h2-3,6-7,14-15,27H,1,4-5,8-13,16H2
InChIKeyVZOFNSFODIYKKD-UHFFFAOYSA-N
XLogP3.09
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol (CID 16674121) is 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
The InChIKey is VZOFNSFODIYKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-19-7-3-2-6-18(19)21(27)8-12-25(13-9-21)16-17-14-23-20(24-15-17)26-10-4-1-5-11-26/h2-3,6-7,14-15,27H,1,4-5,8-13,16H2.
What are the key properties of 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol has a molecular weight of 370.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 16674121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).