(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

C18H26F2N4O — CID 171333775

IUPAC(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C18H26F2N4O/c1-13-11-16(22-12-21-13)23(2)15-5-9-24(10-6-15)17(25)14-3-7-18(19,20)8-4-14/h11-12,14-15H,3-10H2,1-2H3
InChIKeyLNGAAGDAXMRTNV-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.04
Rot. Bonds3

About (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 171333775) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID171333775
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C18H26F2N4O/c1-13-11-16(22-12-21-13)23(2)15-5-9-24(10-6-15)17(25)14-3-7-18(19,20)8-4-14/h11-12,14-15H,3-10H2,1-2H3
InChIKeyLNGAAGDAXMRTNV-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 171333775) is (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc(N(C)C2CCN(C(=O)C3CCC(F)(F)CC3)CC2)ncn1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is LNGAAGDAXMRTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O/c1-13-11-16(22-12-21-13)23(2)15-5-9-24(10-6-15)17(25)14-3-7-18(19,20)8-4-14/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 171333775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).