2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine

C23H43FN2 — CID 123210683

IUPAC2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine
SMILESCCCCC1NCCC(C2CCC(F)CC3(CCCCC3)CC2C)C1N
InChIInChI=1S/C23H43FN2/c1-3-4-8-21-22(25)20(11-14-26-21)19-10-9-18(24)16-23(15-17(19)2)12-6-5-7-13-23/h17-22,26H,3-16,25H2,1-2H3
InChIKeyFVNRJFACJRAING-UHFFFAOYSA-N
MW366.61 g/mol
LogP5.60
Rot. Bonds4

About 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine

2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine (PubChem CID 123210683) has the molecular formula C23H43FN2 and a molecular weight of 366.61 g/mol. Its IUPAC name is 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine
PubChem CID123210683
Molecular FormulaC23H43FN2
Molecular Weight366.61 g/mol
Exact Mass366.34
IUPAC Name2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine
SMILESCCCCC1NCCC(C2CCC(F)CC3(CCCCC3)CC2C)C1N
InChIInChI=1S/C23H43FN2/c1-3-4-8-21-22(25)20(11-14-26-21)19-10-9-18(24)16-23(15-17(19)2)12-6-5-7-13-23/h17-22,26H,3-16,25H2,1-2H3
InChIKeyFVNRJFACJRAING-UHFFFAOYSA-N
XLogP5.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.61
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine?
The IUPAC name of 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine (CID 123210683) is 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine.
What is the SMILES notation for 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine?
The canonical SMILES for 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine is CCCCC1NCCC(C2CCC(F)CC3(CCCCC3)CC2C)C1N.
What is the InChIKey of 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine?
The InChIKey is FVNRJFACJRAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FN2/c1-3-4-8-21-22(25)20(11-14-26-21)19-10-9-18(24)16-23(15-17(19)2)12-6-5-7-13-23/h17-22,26H,3-16,25H2,1-2H3.
What are the key properties of 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine?
2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine has a molecular weight of 366.61 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(12-fluoro-8-methylspiro[5.7]tridecan-9-yl)piperidin-3-amine is sourced from PubChem (CID 123210683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).