3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C18H26F3N3O — CID 126943490

IUPAC3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H26F3N3O/c19-18(20,21)16-10-17(25)24(13-22-16)12-15-6-8-23(9-7-15)11-14-4-2-1-3-5-14/h10,13-15H,1-9,11-12H2
InChIKeyAQFMCMOVSYYMHT-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.55
Rot. Bonds4

About 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943490) has the molecular formula C18H26F3N3O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943490
Molecular FormulaC18H26F3N3O
Molecular Weight357.42 g/mol
Exact Mass357.20
IUPAC Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H26F3N3O/c19-18(20,21)16-10-17(25)24(13-22-16)12-15-6-8-23(9-7-15)11-14-4-2-1-3-5-14/h10,13-15H,1-9,11-12H2
InChIKeyAQFMCMOVSYYMHT-UHFFFAOYSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943490) is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is AQFMCMOVSYYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O/c19-18(20,21)16-10-17(25)24(13-22-16)12-15-6-8-23(9-7-15)11-14-4-2-1-3-5-14/h10,13-15H,1-9,11-12H2.
What are the key properties of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 357.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).