methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

C11H20F3N3O2 — CID 112543603

IUPACmethyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(F)(F)F)CN(CCN)C1
InChIInChI=1S/C11H20F3N3O2/c1-19-10(18)16-9-4-8(5-11(12,13)14)6-17(7-9)3-2-15/h8-9H,2-7,15H2,1H3,(H,16,18)
InChIKeyYACWNOFNQNBTAA-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.94
Rot. Bonds4

About methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate

methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate (PubChem CID 112543603) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
PubChem CID112543603
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Namemethyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CC(CC(F)(F)F)CN(CCN)C1
InChIInChI=1S/C11H20F3N3O2/c1-19-10(18)16-9-4-8(5-11(12,13)14)6-17(7-9)3-2-15/h8-9H,2-7,15H2,1H3,(H,16,18)
InChIKeyYACWNOFNQNBTAA-UHFFFAOYSA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
1-(2-aminoethyl)-N-cyclohexyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83999651
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83989613
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate (CID 112543603) is methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate is COC(=O)NC1CC(CC(F)(F)F)CN(CCN)C1.
What is the InChIKey of methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
The InChIKey is YACWNOFNQNBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-19-10(18)16-9-4-8(5-11(12,13)14)6-17(7-9)3-2-15/h8-9H,2-7,15H2,1H3,(H,16,18).
What are the key properties of methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate?
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate has a molecular weight of 283.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).