[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol

C10H13ClFN3O — CID 79081834

IUPAC[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H13ClFN3O/c11-10-13-4-8(12)9(14-10)15-3-1-2-7(5-15)6-16/h4,7,16H,1-3,5-6H2
InChIKeyDUXUGNYXWQQDMG-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol

[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 79081834) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID79081834
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H13ClFN3O/c11-10-13-4-8(12)9(14-10)15-3-1-2-7(5-15)6-16/h4,7,16H,1-3,5-6H2
InChIKeyDUXUGNYXWQQDMG-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol (CID 79081834) is [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol is OCC1CCCN(c2nc(Cl)ncc2F)C1.
What is the InChIKey of [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is DUXUGNYXWQQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-10-13-4-8(12)9(14-10)15-3-1-2-7(5-15)6-16/h4,7,16H,1-3,5-6H2.
What are the key properties of [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 245.68 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 79081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).