5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine

C15H29FIN5 — CID 134321543

IUPAC5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC(CN2CCN(I)CC2)CC1
InChIInChI=1S/C15H29FIN5/c16-13-9-19-10-14(18)15(13)21-3-1-12(2-4-21)11-20-5-7-22(17)8-6-20/h12-15,19H,1-11,18H2
InChIKeyIXUCBKGTGZZJCD-UHFFFAOYSA-N
MW425.33 g/mol
LogP0.30
Rot. Bonds3

About 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine

5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (PubChem CID 134321543) has the molecular formula C15H29FIN5 and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
PubChem CID134321543
Molecular FormulaC15H29FIN5
Molecular Weight425.33 g/mol
Exact Mass425.15
IUPAC Name5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
SMILESNC1CNCC(F)C1N1CCC(CN2CCN(I)CC2)CC1
InChIInChI=1S/C15H29FIN5/c16-13-9-19-10-14(18)15(13)21-3-1-12(2-4-21)11-20-5-7-22(17)8-6-20/h12-15,19H,1-11,18H2
InChIKeyIXUCBKGTGZZJCD-UHFFFAOYSA-N
XLogP0.30
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The IUPAC name of 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine (CID 134321543) is 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine is NC1CNCC(F)C1N1CCC(CN2CCN(I)CC2)CC1.
What is the InChIKey of 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
The InChIKey is IXUCBKGTGZZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FIN5/c16-13-9-19-10-14(18)15(13)21-3-1-12(2-4-21)11-20-5-7-22(17)8-6-20/h12-15,19H,1-11,18H2.
What are the key properties of 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine?
5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine has a molecular weight of 425.33 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 134321543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).