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

C17H26FN3 — CID 63289543

IUPAC[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26FN3/c18-16-5-4-14(15(10-16)11-19)12-20-9-6-17(13-20)21-7-2-1-3-8-21/h4-5,10,17H,1-3,6-9,11-13,19H2
InChIKeyIYLHGVWEFJKFTI-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.34
Rot. Bonds4

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

[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 63289543) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID63289543
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESNCc1cc(F)ccc1CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H26FN3/c18-16-5-4-14(15(10-16)11-19)12-20-9-6-17(13-20)21-7-2-1-3-8-21/h4-5,10,17H,1-3,6-9,11-13,19H2
InChIKeyIYLHGVWEFJKFTI-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 64768136
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
CID 61216485
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 64768274
5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63291070
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169839

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine (CID 63289543) is [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine is NCc1cc(F)ccc1CN1CCC(N2CCCCC2)C1.
What is the InChIKey of [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is IYLHGVWEFJKFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c18-16-5-4-14(15(10-16)11-19)12-20-9-6-17(13-20)21-7-2-1-3-8-21/h4-5,10,17H,1-3,6-9,11-13,19H2.
What are the key properties of [5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine?
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.34, 4 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)methyl]phenyl]methanamine is sourced from PubChem (CID 63289543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).