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

C20H22FN5 — CID 45223319

IUPACN-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
SMILESFc1cccc(NC2CCCN(Cc3cccn3-c3ncccn3)C2)c1
InChIInChI=1S/C20H22FN5/c21-16-5-1-6-17(13-16)24-18-7-2-11-25(14-18)15-19-8-3-12-26(19)20-22-9-4-10-23-20/h1,3-6,8-10,12-13,18,24H,2,7,11,14-15H2
InChIKeyGISVGLRKKGPCLL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.48
Rot. Bonds5

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

N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine (PubChem CID 45223319) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
PubChem CID45223319
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC NameN-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
SMILESFc1cccc(NC2CCCN(Cc3cccn3-c3ncccn3)C2)c1
InChIInChI=1S/C20H22FN5/c21-16-5-1-6-17(13-16)24-18-7-2-11-25(14-18)15-19-8-3-12-26(19)20-22-9-4-10-23-20/h1,3-6,8-10,12-13,18,24H,2,7,11,14-15H2
InChIKeyGISVGLRKKGPCLL-UHFFFAOYSA-N
XLogP3.48
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
(3R)-N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 42311344
N-(4-propan-2-ylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45242588
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
N-(3,4-dimethylphenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 45250511
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
(3S,4S)-4-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 50968300
2-chloro-4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 25378499
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
5-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-2-methoxyphenol
CID 42457494
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
4-[[(3R)-3-(3-fluoroanilino)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42311444

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine (CID 45223319) is N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine is Fc1cccc(NC2CCCN(Cc3cccn3-c3ncccn3)C2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
The InChIKey is GISVGLRKKGPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c21-16-5-1-6-17(13-16)24-18-7-2-11-25(14-18)15-19-8-3-12-26(19)20-22-9-4-10-23-20/h1,3-6,8-10,12-13,18,24H,2,7,11,14-15H2.
What are the key properties of N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine?
N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine has a molecular weight of 351.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 45223319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).