N-(4,4,4-trifluorobutyl)piperidin-3-amine

C9H17F3N2 — CID 115516260

IUPACN-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESFC(F)(F)CCCNC1CCCNC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h8,13-14H,1-7H2
InChIKeyNXOITAAXCHAEFA-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)piperidin-3-amine

N-(4,4,4-trifluorobutyl)piperidin-3-amine (PubChem CID 115516260) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)piperidin-3-amine
PubChem CID115516260
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-(4,4,4-trifluorobutyl)piperidin-3-amine
SMILESFC(F)(F)CCCNC1CCCNC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h8,13-14H,1-7H2
InChIKeyNXOITAAXCHAEFA-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)piperidin-3-amine (CID 115516260) is N-(4,4,4-trifluorobutyl)piperidin-3-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)piperidin-3-amine is FC(F)(F)CCCNC1CCCNC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)piperidin-3-amine?
The InChIKey is NXOITAAXCHAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h8,13-14H,1-7H2.
What are the key properties of N-(4,4,4-trifluorobutyl)piperidin-3-amine?
N-(4,4,4-trifluorobutyl)piperidin-3-amine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)piperidin-3-amine is sourced from PubChem (CID 115516260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).