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

C13H25F3N2 — CID 55088842

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine
SMILESCC(C)CNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-10(2)7-17-8-11(3)18-6-4-5-12(9-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAGCVZVYHYUIOIH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds5

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

2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine (PubChem CID 55088842) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine
PubChem CID55088842
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine
SMILESCC(C)CNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-10(2)7-17-8-11(3)18-6-4-5-12(9-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyAGCVZVYHYUIOIH-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine (CID 55088842) is 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine is CC(C)CNCC(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine?
The InChIKey is AGCVZVYHYUIOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-10(2)7-17-8-11(3)18-6-4-5-12(9-18)13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine?
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]propan-1-amine is sourced from PubChem (CID 55088842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).