(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

C14H25F3N2O3 — CID 175793892

IUPAC(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESC[C@H]1COC[C@H](C)N1CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-10-8-15-9-11(2)14(10)7-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h10-13H,3-9H2,1-2H3;(H,6,7)/t10-,11-;/m0./s1
InChIKeyYBGIXEYJMLYMCZ-ACMTZBLWSA-N
MW326.36 g/mol
LogP1.73
Rot. Bonds2

About (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 175793892) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID175793892
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Name(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESC[C@H]1COC[C@H](C)N1CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-10-8-15-9-11(2)14(10)7-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h10-13H,3-9H2,1-2H3;(H,6,7)/t10-,11-;/m0./s1
InChIKeyYBGIXEYJMLYMCZ-ACMTZBLWSA-N
XLogP1.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 172731821
N-(oxetan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155407829
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
4-[2-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 126573335
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
3-(3,5-dimethylmorpholin-4-yl)propanoic acid
CID 130723186
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid
CID 83212985

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (CID 175793892) is (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is C[C@H]1COC[C@H](C)N1CC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is YBGIXEYJMLYMCZ-ACMTZBLWSA-N. The full InChI is InChI=1S/C12H24N2O.C2HF3O2/c1-10-8-15-9-11(2)14(10)7-12-3-5-13-6-4-12;3-2(4,5)1(6)7/h10-13H,3-9H2,1-2H3;(H,6,7)/t10-,11-;/m0./s1.
What are the key properties of (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 326.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175793892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).