[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

C16H24F2N4O — CID 127597675

IUPAC[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NC3CCCC(F)(F)C3)ncn2)C1
InChIInChI=1S/C16H24F2N4O/c17-16(18)5-1-4-13(8-16)21-14-7-15(20-11-19-14)22-6-2-3-12(9-22)10-23/h7,11-13,23H,1-6,8-10H2,(H,19,20,21)
InChIKeyGDIXWYDDDJORFA-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.68
Rot. Bonds4

About [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 127597675) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID127597675
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NC3CCCC(F)(F)C3)ncn2)C1
InChIInChI=1S/C16H24F2N4O/c17-16(18)5-1-4-13(8-16)21-14-7-15(20-11-19-14)22-6-2-3-12(9-22)10-23/h7,11-13,23H,1-6,8-10H2,(H,19,20,21)
InChIKeyGDIXWYDDDJORFA-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 127597675) is [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(NC3CCCC(F)(F)C3)ncn2)C1.
What is the InChIKey of [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is GDIXWYDDDJORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c17-16(18)5-1-4-13(8-16)21-14-7-15(20-11-19-14)22-6-2-3-12(9-22)10-23/h7,11-13,23H,1-6,8-10H2,(H,19,20,21).
What are the key properties of [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 326.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(3,3-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 127597675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).