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

C14H20FN3O — CID 18427830

IUPAC4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCc2ccccn2)CC1
InChIInChI=1S/C14H20FN3O/c15-14(5-9-18(12-19)10-6-14)11-16-8-4-13-3-1-2-7-17-13/h1-3,7,12,16H,4-6,8-11H2
InChIKeyPCUQVUNZXHOVLW-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.17
Rot. Bonds6

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

4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde (PubChem CID 18427830) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
PubChem CID18427830
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCc2ccccn2)CC1
InChIInChI=1S/C14H20FN3O/c15-14(5-9-18(12-19)10-6-14)11-16-8-4-13-3-1-2-7-17-13/h1-3,7,12,16H,4-6,8-11H2
InChIKeyPCUQVUNZXHOVLW-UHFFFAOYSA-N
XLogP1.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.17
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-[(3-pyridin-2-ylpropylamino)methyl]piperidine-1-carbaldehyde
CID 175190454
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
CID 115245931
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
CID 115230160
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde (CID 18427830) is 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde is O=CN1CCC(F)(CNCCc2ccccn2)CC1.
What is the InChIKey of 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde?
The InChIKey is PCUQVUNZXHOVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-14(5-9-18(12-19)10-6-14)11-16-8-4-13-3-1-2-7-17-13/h1-3,7,12,16H,4-6,8-11H2.
What are the key properties of 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde?
4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde has a molecular weight of 265.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 18427830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).