4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid

C13H23F3N2O2 — CID 68600928

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CCCN1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-11(2)6-3-9-13(11)10-4-7-12-8-5-10;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7)
InChIKeyQGMKTBVNQVCVJD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid

4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid (PubChem CID 68600928) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
PubChem CID68600928
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CCCN1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2.C2HF3O2/c1-11(2)6-3-9-13(11)10-4-7-12-8-5-10;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7)
InChIKeyQGMKTBVNQVCVJD-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,4S)-2-isobutyl-2,5-diazabicyclo[2.2.1]heptane 2,2,2-trifluoroacetate
CID 129012699
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
(1-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
N,4-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67240702
4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68600321
2,2-Dimethyl-1-pyrrolidin-3-ylpyrrolidine;2,2,2-trifluoroacetic acid
CID 68600649
4-(3,3-Difluoropyrrolidin-1-yl)piperidine 2,2,2-trifluoroacetate
CID 68600939
4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68601866
4-(3-Fluoropyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 68601871
4-[(3R)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68603089
1-(2-Pyrrolidin-3-ylethyl)piperidine;2,2,2-trifluoroacetic acid
CID 69116255
1-Propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 69289347

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid (CID 68600928) is 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid is CC1(C)CCCN1C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is QGMKTBVNQVCVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2HF3O2/c1-11(2)6-3-9-13(11)10-4-7-12-8-5-10;3-2(4,5)1(6)7/h10,12H,3-9H2,1-2H3;(H,6,7).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid?
4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 296.33 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68600928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).