N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C13H23F3N2O3 — CID 146455406

IUPACN-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCN(C2CCOCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-12-10-2-6-13(7-3-10)11-4-8-14-9-5-11;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7)
InChIKeyKEWIWBLEEXDAER-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.48
Rot. Bonds2

About N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 146455406) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID146455406
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCN(C2CCOCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-12-10-2-6-13(7-3-10)11-4-8-14-9-5-11;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7)
InChIKeyKEWIWBLEEXDAER-UHFFFAOYSA-N
XLogP1.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
[3-Fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454373
[1-(3,3-Difluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454394
[1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-yl]carbamic acid
CID 118454543
[(3R,4S)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454550
[(3S,4S)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]carbamic acid
CID 118454552
[1-(3-Fluorooxan-4-yl)piperidin-4-yl]carbamic acid
CID 123435493
(1-Piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
CID 134325289
1-(2-methoxyethyl)-N-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146455412
1-(Oxan-4-yl)piperazine;2,2,2-trifluoroacetic acid
CID 146455454
(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
CID 146455492
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 146455406) is N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is CNC1CCN(C2CCOCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KEWIWBLEEXDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2HF3O2/c1-12-10-2-6-13(7-3-10)11-4-8-14-9-5-11;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7).
What are the key properties of N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146455406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).