[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine

C16H19FN4 — CID 103278804

IUPAC[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2nccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN4/c17-14-5-3-13(4-6-14)15-7-8-19-16(20-15)21-9-1-2-12(10-18)11-21/h3-8,12H,1-2,9-11,18H2
InChIKeyQIYFLNMJGNKJMV-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.46
Rot. Bonds3

About [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine

[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine (PubChem CID 103278804) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
PubChem CID103278804
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(c2nccc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN4/c17-14-5-3-13(4-6-14)15-7-8-19-16(20-15)21-9-1-2-12(10-18)11-21/h3-8,12H,1-2,9-11,18H2
InChIKeyQIYFLNMJGNKJMV-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278821
[1-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 103278754
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
[1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800011
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
[1-[4-(4-chlorophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279291
[1-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]piperidin-3-yl]methanamine
CID 116976207
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
CID 103278648
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
[1-[5-(3-bromo-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 107517334

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine (CID 103278804) is [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine is NCC1CCCN(c2nccc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
The InChIKey is QIYFLNMJGNKJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c17-14-5-3-13(4-6-14)15-7-8-19-16(20-15)21-9-1-2-12(10-18)11-21/h3-8,12H,1-2,9-11,18H2.
What are the key properties of [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine?
[1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine has a molecular weight of 286.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)pyrimidin-2-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 103278804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).