1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine

C13H24F3N3 — CID 171359672

IUPAC1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NC[C@H]2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C13H24F3N3/c1-18-5-3-12(4-6-18)17-8-11-2-7-19(9-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3/t11-/m1/s1
InChIKeyWOXSQAXVTAXVFJ-LLVKDONJSA-N
MW279.35 g/mol
LogP1.55
Rot. Bonds4

About 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine

1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine (PubChem CID 171359672) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
PubChem CID171359672
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NC[C@H]2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C13H24F3N3/c1-18-5-3-12(4-6-18)17-8-11-2-7-19(9-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3/t11-/m1/s1
InChIKeyWOXSQAXVTAXVFJ-LLVKDONJSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine (CID 171359672) is 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine is CN1CCC(NC[C@H]2CCN(CC(F)(F)F)C2)CC1.
What is the InChIKey of 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
The InChIKey is WOXSQAXVTAXVFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-18-5-3-12(4-6-18)17-8-11-2-7-19(9-11)10-13(14,15)16/h11-12,17H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine?
1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 171359672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).