5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride

C9H14Cl2FN3 — CID 102551689

IUPAC5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride
SMILESCl.Cl.FC1(c2cncnc2)CCNCC1
InChIInChI=1S/C9H12FN3.2ClH/c10-9(1-3-11-4-2-9)8-5-12-7-13-6-8;;/h5-7,11H,1-4H2;2*1H
InChIKeyCBAKJZOUGZSAAZ-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.87
Rot. Bonds1

About 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride

5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride (PubChem CID 102551689) has the molecular formula C9H14Cl2FN3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride
PubChem CID102551689
Molecular FormulaC9H14Cl2FN3
Molecular Weight254.14 g/mol
Exact Mass253.05
IUPAC Name5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride
SMILESCl.Cl.FC1(c2cncnc2)CCNCC1
InChIInChI=1S/C9H12FN3.2ClH/c10-9(1-3-11-4-2-9)8-5-12-7-13-6-8;;/h5-7,11H,1-4H2;2*1H
InChIKeyCBAKJZOUGZSAAZ-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Piperidin-4-yl)pyrimidine
CID 24904194
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433
5-Pyrimidinepropanamine hydrochloride (1:1)
CID 122235941
5-(Piperidin-4-yl)pyrimidine dihydrochloride
CID 91623829
3-(Pyrimidin-5-yl)propan-1-amine dihydrochloride
CID 121553825
5-Methyl-2-(piperidin-4-yl)pyrimidine dihydrochloride
CID 165986136
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidin-2-amine
CID 13404586
5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidine
CID 19828393
5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
CID 97195992

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride?
The IUPAC name of 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride (CID 102551689) is 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride.
What is the SMILES notation for 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride?
The canonical SMILES for 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride is Cl.Cl.FC1(c2cncnc2)CCNCC1.
What is the InChIKey of 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride?
The InChIKey is CBAKJZOUGZSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3.2ClH/c10-9(1-3-11-4-2-9)8-5-12-7-13-6-8;;/h5-7,11H,1-4H2;2*1H.
What are the key properties of 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride?
5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride has a molecular weight of 254.14 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-4-yl)pyrimidine;dihydrochloride is sourced from PubChem (CID 102551689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).