2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol

C11H16FN3O — CID 107228401

IUPAC2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c12-10-6-11(14-8-13-10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2
InChIKeyKFPPAIGOXCGRRQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.21
Rot. Bonds3

About 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 107228401) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID107228401
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c12-10-6-11(14-8-13-10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2
InChIKeyKFPPAIGOXCGRRQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
(1R,3S)-7-(6-aminopyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70719171
[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164640178
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 57990270
(1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl)methanol
CID 60137814
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 70980397
2-[1-[2-[(Z)-2-(methylideneamino)-1-[5-(2,2,2-trifluoroethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 139358700
1-(4-Aminopyrimidin-2-yl)-3-ethyl-3-fluoropiperidin-4-ol
CID 156538336
(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-ethyl-3-fluoropiperidin-4-ol
CID 156538364
1-(6-Fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162376335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol (CID 107228401) is 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol is OCCC1CCCN(c2cc(F)ncn2)C1.
What is the InChIKey of 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is KFPPAIGOXCGRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-10-6-11(14-8-13-10)15-4-1-2-9(7-15)3-5-16/h6,8-9,16H,1-5,7H2.
What are the key properties of 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 225.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoropyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107228401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).