3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine

C14H27F3N2 — CID 55088891

IUPAC3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-11(2)6-7-18-9-12(3)19-8-4-5-13(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyRIVHSJJFIMPCPE-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds6

About 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine

3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine (PubChem CID 55088891) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine
PubChem CID55088891
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-11(2)6-7-18-9-12(3)19-8-4-5-13(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3
InChIKeyRIVHSJJFIMPCPE-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
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 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine (CID 55088891) is 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine is CC(C)CCNCC(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine?
The InChIKey is RIVHSJJFIMPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-11(2)6-7-18-9-12(3)19-8-4-5-13(10-19)14(15,16)17/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine?
3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]butan-1-amine is sourced from PubChem (CID 55088891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).