5-fluoro-1-undecan-6-ylpiperidin-3-amine

C16H33FN2 — CID 129237552

IUPAC5-fluoro-1-undecan-6-ylpiperidin-3-amine
SMILESCCCCCC(CCCCC)N1CC(N)CC(F)C1
InChIInChI=1S/C16H33FN2/c1-3-5-7-9-16(10-8-6-4-2)19-12-14(17)11-15(18)13-19/h14-16H,3-13,18H2,1-2H3
InChIKeyTZHYJCXRFDKBAT-UHFFFAOYSA-N
MW272.45 g/mol
LogP3.89
Rot. Bonds9

About 5-fluoro-1-undecan-6-ylpiperidin-3-amine

5-fluoro-1-undecan-6-ylpiperidin-3-amine (PubChem CID 129237552) has the molecular formula C16H33FN2 and a molecular weight of 272.45 g/mol. Its IUPAC name is 5-fluoro-1-undecan-6-ylpiperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-undecan-6-ylpiperidin-3-amine
PubChem CID129237552
Molecular FormulaC16H33FN2
Molecular Weight272.45 g/mol
Exact Mass272.26
IUPAC Name5-fluoro-1-undecan-6-ylpiperidin-3-amine
SMILESCCCCCC(CCCCC)N1CC(N)CC(F)C1
InChIInChI=1S/C16H33FN2/c1-3-5-7-9-16(10-8-6-4-2)19-12-14(17)11-15(18)13-19/h14-16H,3-13,18H2,1-2H3
InChIKeyTZHYJCXRFDKBAT-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 53.89
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 5-fluoro-1-undecan-6-ylpiperidin-3-amine?
The IUPAC name of 5-fluoro-1-undecan-6-ylpiperidin-3-amine (CID 129237552) is 5-fluoro-1-undecan-6-ylpiperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-undecan-6-ylpiperidin-3-amine?
The canonical SMILES for 5-fluoro-1-undecan-6-ylpiperidin-3-amine is CCCCCC(CCCCC)N1CC(N)CC(F)C1.
What is the InChIKey of 5-fluoro-1-undecan-6-ylpiperidin-3-amine?
The InChIKey is TZHYJCXRFDKBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33FN2/c1-3-5-7-9-16(10-8-6-4-2)19-12-14(17)11-15(18)13-19/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 5-fluoro-1-undecan-6-ylpiperidin-3-amine?
5-fluoro-1-undecan-6-ylpiperidin-3-amine has a molecular weight of 272.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-undecan-6-ylpiperidin-3-amine is sourced from PubChem (CID 129237552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).