2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol

C17H29FN6O — CID 134699624

IUPAC2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1nc(N2CCC(N3CCN(CCO)CC3)CC2)ncc1F
InChIInChI=1S/C17H29FN6O/c1-21(2)16-15(18)13-19-17(20-16)24-5-3-14(4-6-24)23-9-7-22(8-10-23)11-12-25/h13-14,25H,3-12H2,1-2H3
InChIKeyMQLKTACXFHQOBR-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.26
Rot. Bonds5

About 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 134699624) has the molecular formula C17H29FN6O and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID134699624
Molecular FormulaC17H29FN6O
Molecular Weight352.46 g/mol
Exact Mass352.24
IUPAC Name2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1nc(N2CCC(N3CCN(CCO)CC3)CC2)ncc1F
InChIInChI=1S/C17H29FN6O/c1-21(2)16-15(18)13-19-17(20-16)24-5-3-14(4-6-24)23-9-7-22(8-10-23)11-12-25/h13-14,25H,3-12H2,1-2H3
InChIKeyMQLKTACXFHQOBR-UHFFFAOYSA-N
XLogP0.26
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol (CID 134699624) is 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol is CN(C)c1nc(N2CCC(N3CCN(CCO)CC3)CC2)ncc1F.
What is the InChIKey of 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is MQLKTACXFHQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN6O/c1-21(2)16-15(18)13-19-17(20-16)24-5-3-14(4-6-24)23-9-7-22(8-10-23)11-12-25/h13-14,25H,3-12H2,1-2H3.
What are the key properties of 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 352.46 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 134699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).