4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine

C12H18FN3 — CID 115416875

IUPAC4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H18FN3/c1-2-3-10-4-6-16(7-5-10)12-8-11(13)14-9-15-12/h8-10H,2-7H2,1H3
InChIKeyPIUJJIKZYZTUEM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.63
Rot. Bonds3

About 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine

4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine (PubChem CID 115416875) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
PubChem CID115416875
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C12H18FN3/c1-2-3-10-4-6-16(7-5-10)12-8-11(13)14-9-15-12/h8-10H,2-7H2,1H3
InChIKeyPIUJJIKZYZTUEM-UHFFFAOYSA-N
XLogP2.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
4-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 115416496
2-fluoro-6-(4-propylpiperidin-1-yl)pyridine
CID 62205633
4-(3-cyclopropylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 130855835
1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 115417048
1-(6-fluoropyrimidin-4-yl)-4,4-dimethylazepane
CID 115417100
4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 115416914
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
5-amino-2-(4-propylpiperidin-1-yl)pyridine-4-carboxamide
CID 114090312
N-[[2-(4-propylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62285719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine (CID 115416875) is 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine is CCCC1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine?
The InChIKey is PIUJJIKZYZTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-3-10-4-6-16(7-5-10)12-8-11(13)14-9-15-12/h8-10H,2-7H2,1H3.
What are the key properties of 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine?
4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 115416875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).