[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H19F3N2O — CID 131915676

IUPAC[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-16-6-2-3-10(16)11(18)17-7-4-9(5-8-17)12(13,14)15/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyNGSVHTBGHWUKCZ-JTQLQIEISA-N
MW264.29 g/mol
LogP1.88
Rot. Bonds1

About [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 131915676) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID131915676
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-16-6-2-3-10(16)11(18)17-7-4-9(5-8-17)12(13,14)15/h9-10H,2-8H2,1H3/t10-/m0/s1
InChIKeyNGSVHTBGHWUKCZ-JTQLQIEISA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 131915676) is [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is CN1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is NGSVHTBGHWUKCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-16-6-2-3-10(16)11(18)17-7-4-9(5-8-17)12(13,14)15/h9-10H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 264.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 131915676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).