5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine

C13H26FN5 — CID 123467513

IUPAC5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC(N2CCNC2)CC1
InChIInChI=1S/C13H26FN5/c14-11-7-17-8-12(15)13(11)18-4-1-10(2-5-18)19-6-3-16-9-19/h10-13,16-17H,1-9,15H2
InChIKeyNRTWXNGKMJJIEW-UHFFFAOYSA-N
MW271.38 g/mol
LogP-1.05
Rot. Bonds2

About 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine

5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine (PubChem CID 123467513) has the molecular formula C13H26FN5 and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine
PubChem CID123467513
Molecular FormulaC13H26FN5
Molecular Weight271.38 g/mol
Exact Mass271.22
IUPAC Name5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC(N2CCNC2)CC1
InChIInChI=1S/C13H26FN5/c14-11-7-17-8-12(15)13(11)18-4-1-10(2-5-18)19-6-3-16-9-19/h10-13,16-17H,1-9,15H2
InChIKeyNRTWXNGKMJJIEW-UHFFFAOYSA-N
XLogP-1.05
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine (CID 123467513) is 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine is NC1CNCC(F)C1N1CCC(N2CCNC2)CC1.
What is the InChIKey of 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine?
The InChIKey is NRTWXNGKMJJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN5/c14-11-7-17-8-12(15)13(11)18-4-1-10(2-5-18)19-6-3-16-9-19/h10-13,16-17H,1-9,15H2.
What are the key properties of 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine?
5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine has a molecular weight of 271.38 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-imidazolidin-1-ylpiperidin-1-yl)piperidin-3-amine is sourced from PubChem (CID 123467513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).