4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid

C14H23F5N2O2 — CID 126573335

IUPAC4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
SMILESFC(F)CN1CC(CCC2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22F2N2.C2HF3O2/c13-12(14)9-16-7-11(8-16)2-1-10-3-5-15-6-4-10;3-2(4,5)1(6)7/h10-12,15H,1-9H2;(H,6,7)
InChIKeyWMQFNDFRSAWVOD-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid

4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 126573335) has the molecular formula C14H23F5N2O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID126573335
Molecular FormulaC14H23F5N2O2
Molecular Weight346.34 g/mol
Exact Mass346.17
IUPAC Name4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
SMILESFC(F)CN1CC(CCC2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22F2N2.C2HF3O2/c13-12(14)9-16-7-11(8-16)2-1-10-3-5-15-6-4-10;3-2(4,5)1(6)7/h10-12,15H,1-9H2;(H,6,7)
InChIKeyWMQFNDFRSAWVOD-UHFFFAOYSA-N
XLogP2.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 158970546
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
CID 118367131
(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
CID 175793892
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
1-piperidin-4-ylpyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
CID 135145004
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid (CID 126573335) is 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid is FC(F)CN1CC(CCC2CCNCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is WMQFNDFRSAWVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2.C2HF3O2/c13-12(14)9-16-7-11(8-16)2-1-10-3-5-15-6-4-10;3-2(4,5)1(6)7/h10-12,15H,1-9H2;(H,6,7).
What are the key properties of 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid?
4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 346.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).