N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine

C15H17FN4 — CID 133411829

IUPACN-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccccc1N1CCCC(Nc2ncccn2)C1
InChIInChI=1S/C15H17FN4/c16-13-6-1-2-7-14(13)20-10-3-5-12(11-20)19-15-17-8-4-9-18-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,17,18,19)
InChIKeyTYWJPGFHANZMHA-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.70
Rot. Bonds3

About N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine

N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 133411829) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID133411829
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccccc1N1CCCC(Nc2ncccn2)C1
InChIInChI=1S/C15H17FN4/c16-13-6-1-2-7-14(13)20-10-3-5-12(11-20)19-15-17-8-4-9-18-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,17,18,19)
InChIKeyTYWJPGFHANZMHA-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831
[2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]quinolin-3-yl]methanol
CID 133411847
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
2-fluoro-6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]benzonitrile
CID 94032537
(2S)-2-(benzenesulfonamido)-3-[[3-fluoro-4-[(3R)-3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid
CID 70099915
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine (CID 133411829) is N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine is Fc1ccccc1N1CCCC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is TYWJPGFHANZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-13-6-1-2-7-14(13)20-10-3-5-12(11-20)19-15-17-8-4-9-18-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,17,18,19).
What are the key properties of N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine?
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 133411829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).