3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine

C27H51F2N3 — CID 126555513

IUPAC3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine
SMILESCC(C)(CCC(C)(CCC(C)(C)N1CCCC(F)C1)N1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C27H51F2N3/c1-25(2,30-17-7-6-8-18-30)13-15-27(5,31-20-11-23(28)12-21-31)16-14-26(3,4)32-19-9-10-24(29)22-32/h23-24H,6-22H2,1-5H3
InChIKeyZXVAHJKMGNUCAD-UHFFFAOYSA-N
MW455.72 g/mol
LogP6.22
Rot. Bonds9

About 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine

3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine (PubChem CID 126555513) has the molecular formula C27H51F2N3 and a molecular weight of 455.72 g/mol. Its IUPAC name is 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine
PubChem CID126555513
Molecular FormulaC27H51F2N3
Molecular Weight455.72 g/mol
Exact Mass455.41
IUPAC Name3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine
SMILESCC(C)(CCC(C)(CCC(C)(C)N1CCCC(F)C1)N1CCC(F)CC1)N1CCCCC1
InChIInChI=1S/C27H51F2N3/c1-25(2,30-17-7-6-8-18-30)13-15-27(5,31-20-11-23(28)12-21-31)16-14-26(3,4)32-19-9-10-24(29)22-32/h23-24H,6-22H2,1-5H3
InChIKeyZXVAHJKMGNUCAD-UHFFFAOYSA-N
XLogP6.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.72
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine?
The IUPAC name of 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine (CID 126555513) is 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine.
What is the SMILES notation for 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine?
The canonical SMILES for 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine is CC(C)(CCC(C)(CCC(C)(C)N1CCCC(F)C1)N1CCC(F)CC1)N1CCCCC1.
What is the InChIKey of 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine?
The InChIKey is ZXVAHJKMGNUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51F2N3/c1-25(2,30-17-7-6-8-18-30)13-15-27(5,31-20-11-23(28)12-21-31)16-14-26(3,4)32-19-9-10-24(29)22-32/h23-24H,6-22H2,1-5H3.
What are the key properties of 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine?
3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine has a molecular weight of 455.72 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[5-(4-fluoropiperidin-1-yl)-2,5,8-trimethyl-8-piperidin-1-ylnonan-2-yl]piperidine is sourced from PubChem (CID 126555513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).