tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate

C19H27F3N4O3 — CID 68663148

IUPACtert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H27F3N4O3/c1-17(2,3)29-16(28)26-9-7-18(12-23,8-10-26)15(27)25(4)13-5-6-14(24-11-13)19(20,21)22/h5-6,11H,7-10,12,23H2,1-4H3
InChIKeySKSLRSFFYNBMPV-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 68663148) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
PubChem CID68663148
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC Nametert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H27F3N4O3/c1-17(2,3)29-16(28)26-9-7-18(12-23,8-10-26)15(27)25(4)13-5-6-14(24-11-13)19(20,21)22/h5-6,11H,7-10,12,23H2,1-4H3
InChIKeySKSLRSFFYNBMPV-UHFFFAOYSA-N
XLogP3.04
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 163385767
tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 68664172
tert-butyl 4-(aminomethyl)-4-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 59322318
tert-butyl 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 59322280
5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 175563782
tert-butyl 4-(aminomethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
CID 86277729
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl 4-benzyl-4-[benzyl(trifluoromethyl)carbamoyl]piperidine-1-carboxylate
CID 91126915
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
4-(aminomethyl)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 162584817
1-O-tert-butyl 4-O-ethyl 4-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxylate
CID 162726373
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate (CID 68663148) is tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate is CN(C(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is SKSLRSFFYNBMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O3/c1-17(2,3)29-16(28)26-9-7-18(12-23,8-10-26)15(27)25(4)13-5-6-14(24-11-13)19(20,21)22/h5-6,11H,7-10,12,23H2,1-4H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 68663148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).