1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane

C15H24FN3 — CID 22053421

IUPAC1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane
SMILESCCCCCc1cc(N2CCCNCC2)cnc1F
InChIInChI=1S/C15H24FN3/c1-2-3-4-6-13-11-14(12-18-15(13)16)19-9-5-7-17-8-10-19/h11-12,17H,2-10H2,1H3
InChIKeyAHJAIACYRCJYRM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.75
Rot. Bonds5

About 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane

1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane (PubChem CID 22053421) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane
PubChem CID22053421
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane
SMILESCCCCCc1cc(N2CCCNCC2)cnc1F
InChIInChI=1S/C15H24FN3/c1-2-3-4-6-13-11-14(12-18-15(13)16)19-9-5-7-17-8-10-19/h11-12,17H,2-10H2,1H3
InChIKeyAHJAIACYRCJYRM-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethoxy-6-fluoro-3-pyridinyl)-1,4-diazepane
CID 22053530
1-(6-bromo-5-ethyl-3-pyridinyl)-1,4-diazepane
CID 54223601
1-(5-ethyl-6-iodo-3-pyridinyl)-1,4-diazepane
CID 22053478
1-(5-butoxy-3-pyridinyl)-1,5-diazocane
CID 11494630
N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
CID 22053459
1-(5-but-2-enyl-6-chloro-3-pyridinyl)-1,4-diazepane
CID 173179920
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494
5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol;hydrochloride
CID 11573964
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
1-(6-bromo-5-prop-1-ynyl-3-pyridinyl)-1,4-diazepane
CID 22053404
4-(1,4-diazepan-1-yl)-2-[(4-pentylpiperazin-1-yl)methyl]benzonitrile
CID 174992045

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane (CID 22053421) is 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane is CCCCCc1cc(N2CCCNCC2)cnc1F.
What is the InChIKey of 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane?
The InChIKey is AHJAIACYRCJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-2-3-4-6-13-11-14(12-18-15(13)16)19-9-5-7-17-8-10-19/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane?
1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane has a molecular weight of 265.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-pentyl-3-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 22053421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).