5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

C20H39FN4O — CID 138645806

IUPAC5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCCCCCCN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1
InChIInChI=1S/C20H39FN4O/c1-3-4-5-6-9-24-14-17(21)19(18(22)15-24)25-10-7-20(8-11-25)16-23(2)12-13-26-20/h17-19H,3-16,22H2,1-2H3
InChIKeyQAIYURWYRSHURA-UHFFFAOYSA-N
MW370.56 g/mol
LogP1.71
Rot. Bonds6

About 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine

5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (PubChem CID 138645806) has the molecular formula C20H39FN4O and a molecular weight of 370.56 g/mol. Its IUPAC name is 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
PubChem CID138645806
Molecular FormulaC20H39FN4O
Molecular Weight370.56 g/mol
Exact Mass370.31
IUPAC Name5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
SMILESCCCCCCN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1
InChIInChI=1S/C20H39FN4O/c1-3-4-5-6-9-24-14-17(21)19(18(22)15-24)25-10-7-20(8-11-25)16-23(2)12-13-26-20/h17-19H,3-16,22H2,1-2H3
InChIKeyQAIYURWYRSHURA-UHFFFAOYSA-N
XLogP1.71
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The IUPAC name of 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine (CID 138645806) is 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine.
What is the SMILES notation for 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The canonical SMILES for 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is CCCCCCN1CC(N)C(N2CCC3(CC2)CN(C)CCO3)C(F)C1.
What is the InChIKey of 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
The InChIKey is QAIYURWYRSHURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN4O/c1-3-4-5-6-9-24-14-17(21)19(18(22)15-24)25-10-7-20(8-11-25)16-23(2)12-13-26-20/h17-19H,3-16,22H2,1-2H3.
What are the key properties of 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine?
5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine has a molecular weight of 370.56 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 138645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).