tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate

C19H27F3N2O2 — CID 86276747

IUPACtert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24-10-8-18(13-23,9-11-24)12-14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-13,23H2,1-3H3
InChIKeyIUWAHJWWMJPTOO-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate (PubChem CID 86276747) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
PubChem CID86276747
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Nametert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24-10-8-18(13-23,9-11-24)12-14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-13,23H2,1-3H3
InChIKeyIUWAHJWWMJPTOO-UHFFFAOYSA-N
XLogP4.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate (CID 86276747) is tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate?
The InChIKey is IUWAHJWWMJPTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24-10-8-18(13-23,9-11-24)12-14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-13,23H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86276747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).