4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde

C15H22FN3O — CID 175190454

IUPAC4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCCc2ccccn2)CC1
InChIInChI=1S/C15H22FN3O/c16-15(6-10-19(13-20)11-7-15)12-17-8-3-5-14-4-1-2-9-18-14/h1-2,4,9,13,17H,3,5-8,10-12H2
InChIKeyYBIRAGJRFAUCSF-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.56
Rot. Bonds7

About 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde

4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde (PubChem CID 175190454) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde
PubChem CID175190454
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCCc2ccccn2)CC1
InChIInChI=1S/C15H22FN3O/c16-15(6-10-19(13-20)11-7-15)12-17-8-3-5-14-4-1-2-9-18-14/h1-2,4,9,13,17H,3,5-8,10-12H2
InChIKeyYBIRAGJRFAUCSF-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
CID 18427830
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
CID 115245931
5-pyridin-2-ylpentanal
CID 13416615
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
[1-hydroxy-1-phosphono-3-(3-pyridin-2-ylpropylamino)propyl]phosphonic acid
CID 18542139

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde (CID 175190454) is 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde is O=CN1CCC(F)(CNCCCc2ccccn2)CC1.
What is the InChIKey of 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde?
The InChIKey is YBIRAGJRFAUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-15(6-10-19(13-20)11-7-15)12-17-8-3-5-14-4-1-2-9-18-14/h1-2,4,9,13,17H,3,5-8,10-12H2.
What are the key properties of 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde?
4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde has a molecular weight of 279.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 175190454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).