2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine

C11H21F3N2 — CID 83014194

IUPAC2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9-5-3-6-10(2)16(9)15-8-4-7-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyUHKLJPWOLKLSLC-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.10
Rot. Bonds4

About 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine

2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine (PubChem CID 83014194) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine
PubChem CID83014194
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9-5-3-6-10(2)16(9)15-8-4-7-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyUHKLJPWOLKLSLC-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine (CID 83014194) is 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine is CC1CCCC(C)N1NCCCC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine?
The InChIKey is UHKLJPWOLKLSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9-5-3-6-10(2)16(9)15-8-4-7-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine?
2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine has a molecular weight of 238.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4,4,4-trifluorobutyl)piperidin-1-amine is sourced from PubChem (CID 83014194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).