4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol

C20H40FNO — CID 126672242

IUPAC4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol
SMILESCCCCCCCC(CCCCCC)N1CCC(F)C(C)(O)C1
InChIInChI=1S/C20H40FNO/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)22-16-15-19(21)20(3,23)17-22/h18-19,23H,4-17H2,1-3H3
InChIKeyPNYNXLMNZTWGHN-UHFFFAOYSA-N
MW329.54 g/mol
LogP5.48
Rot. Bonds12

About 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol

4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol (PubChem CID 126672242) has the molecular formula C20H40FNO and a molecular weight of 329.54 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol
PubChem CID126672242
Molecular FormulaC20H40FNO
Molecular Weight329.54 g/mol
Exact Mass329.31
IUPAC Name4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol
SMILESCCCCCCCC(CCCCCC)N1CCC(F)C(C)(O)C1
InChIInChI=1S/C20H40FNO/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)22-16-15-19(21)20(3,23)17-22/h18-19,23H,4-17H2,1-3H3
InChIKeyPNYNXLMNZTWGHN-UHFFFAOYSA-N
XLogP5.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.54
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol?
The IUPAC name of 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol (CID 126672242) is 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol.
What is the SMILES notation for 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol?
The canonical SMILES for 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol is CCCCCCCC(CCCCCC)N1CCC(F)C(C)(O)C1.
What is the InChIKey of 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol?
The InChIKey is PNYNXLMNZTWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40FNO/c1-4-6-8-10-12-14-18(13-11-9-7-5-2)22-16-15-19(21)20(3,23)17-22/h18-19,23H,4-17H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol?
4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol has a molecular weight of 329.54 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-tetradecan-7-ylpiperidin-3-ol is sourced from PubChem (CID 126672242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).