[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

C16H24FN3 — CID 63170949

IUPAC[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H24FN3/c17-14-4-5-16(13(10-14)11-18)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2
InChIKeyLZHDMDYETOESLP-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.35
Rot. Bonds3

About [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine

[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 63170949) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID63170949
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H24FN3/c17-14-4-5-16(13(10-14)11-18)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2
InChIKeyLZHDMDYETOESLP-UHFFFAOYSA-N
XLogP2.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
[4-chloro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63172008
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 114889518
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
CID 63008035
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromophenyl]methanamine
CID 114889665

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine (CID 63170949) is [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1cc(F)ccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is LZHDMDYETOESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c17-14-4-5-16(13(10-14)11-18)20-9-6-15(12-20)19-7-2-1-3-8-19/h4-5,10,15H,1-3,6-9,11-12,18H2.
What are the key properties of [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine?
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63170949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).