4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)

C14H22F6N2O4 — CID 87511364

IUPAC4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1(N2CCCC2)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2.2C2HF3O2/c1-10(4-6-11-7-5-10)12-8-2-3-9-12;2*3-2(4,5)1(6)7/h11H,2-9H2,1H3;2*(H,6,7)
InChIKeyWVWGLYZAEDDTJF-UHFFFAOYSA-N
MW396.33 g/mol
LogP2.49
Rot. Bonds1

About 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)

4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87511364) has the molecular formula C14H22F6N2O4 and a molecular weight of 396.33 g/mol. Its IUPAC name is 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87511364
Molecular FormulaC14H22F6N2O4
Molecular Weight396.33 g/mol
Exact Mass396.15
IUPAC Name4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1(N2CCCC2)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2.2C2HF3O2/c1-10(4-6-11-7-5-10)12-8-2-3-9-12;2*3-2(4,5)1(6)7/h11H,2-9H2,1H3;2*(H,6,7)
InChIKeyWVWGLYZAEDDTJF-UHFFFAOYSA-N
XLogP2.49
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid) (CID 87511364) is 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid) is CC1(N2CCCC2)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WVWGLYZAEDDTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C2HF3O2/c1-10(4-6-11-7-5-10)12-8-2-3-9-12;2*3-2(4,5)1(6)7/h11H,2-9H2,1H3;2*(H,6,7).
What are the key properties of 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid)?
4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 396.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pyrrolidin-1-ylpiperidine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87511364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).