methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate

C14H25F3N2O2 — CID 43788499

IUPACmethyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
SMILESCCC(C)C(NC1CCN(CC(F)(F)F)CC1)C(=O)OC
InChIInChI=1S/C14H25F3N2O2/c1-4-10(2)12(13(20)21-3)18-11-5-7-19(8-6-11)9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyQYWBSIPOMXJANH-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds6

About methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate

methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate (PubChem CID 43788499) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
PubChem CID43788499
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Namemethyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
SMILESCCC(C)C(NC1CCN(CC(F)(F)F)CC1)C(=O)OC
InChIInChI=1S/C14H25F3N2O2/c1-4-10(2)12(13(20)21-3)18-11-5-7-19(8-6-11)9-14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyQYWBSIPOMXJANH-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate with MolForge

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Related Compounds

methyl4-(trifluoromethyl)piperidine-2-carboxylatehydrochloride,Mixtureofdiastereomers
CID 146155874
methyl (2S)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanoate
CID 93416526
Methyl (2S,4R)-4-(trifluoromethyl)piperidine-2-carboxylate
CID 99978532
methyl (2S,3R)-5,5-difluoro-3-methylpiperidine-2-carboxylate
CID 130341893
Methyl 5,5-difluoro-3-methylpiperidine-2-carboxylate
CID 141718849
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
CID 156835214
methyl (2S,3R)-3-(trifluoromethyl)piperidine-2-carboxylate
CID 163711525
methyl (2R,3R)-3-(trifluoromethyl)piperidine-2-carboxylate
CID 168845694
methyl (2S,4R)-4-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 168976255
Methyl 4-methyl-2-(piperidine-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid
CID 25157727
Methyl 2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetate
CID 43756914
methyl (2S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 43776159

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate (CID 43788499) is methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate is CCC(C)C(NC1CCN(CC(F)(F)F)CC1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate?
The InChIKey is QYWBSIPOMXJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-10(2)12(13(20)21-3)18-11-5-7-19(8-6-11)9-14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate?
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate has a molecular weight of 310.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate is sourced from PubChem (CID 43788499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).