(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine

C18H37FN2 — CID 129237341

IUPAC(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine
SMILESCCCCCCCC(CCCCC)N1C[C@H](N)C[C@@H](F)C1
InChIInChI=1S/C18H37FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)21-14-16(19)13-17(20)15-21/h16-18H,3-15,20H2,1-2H3/t16-,17-,18?/m1/s1
InChIKeyGHVJIQTYPZLBGD-OWZOALSMSA-N
MW300.51 g/mol
LogP4.67
Rot. Bonds11

About (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine

(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine (PubChem CID 129237341) has the molecular formula C18H37FN2 and a molecular weight of 300.51 g/mol. Its IUPAC name is (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine
PubChem CID129237341
Molecular FormulaC18H37FN2
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Name(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine
SMILESCCCCCCCC(CCCCC)N1C[C@H](N)C[C@@H](F)C1
InChIInChI=1S/C18H37FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)21-14-16(19)13-17(20)15-21/h16-18H,3-15,20H2,1-2H3/t16-,17-,18?/m1/s1
InChIKeyGHVJIQTYPZLBGD-OWZOALSMSA-N
XLogP4.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.67
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 (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine?
The IUPAC name of (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine (CID 129237341) is (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine.
What is the SMILES notation for (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine?
The canonical SMILES for (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine is CCCCCCCC(CCCCC)N1C[C@H](N)C[C@@H](F)C1.
What is the InChIKey of (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine?
The InChIKey is GHVJIQTYPZLBGD-OWZOALSMSA-N. The full InChI is InChI=1S/C18H37FN2/c1-3-5-7-8-10-12-18(11-9-6-4-2)21-14-16(19)13-17(20)15-21/h16-18H,3-15,20H2,1-2H3/t16-,17-,18?/m1/s1.
What are the key properties of (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine?
(3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine has a molecular weight of 300.51 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-fluoro-1-tridecan-6-ylpiperidin-3-amine is sourced from PubChem (CID 129237341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).