tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine

C17H33F3N4O2 — CID 158438383

IUPACtert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20N2O2.C7H13F3N2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-7(9,10)5-12-3-1-6(11)2-4-12/h8,11H,4-7H2,1-3H3,(H,12,13);6H,1-5,11H2
InChIKeyHCMXWGIPZCARCQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine

tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 158438383) has the molecular formula C17H33F3N4O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID158438383
Molecular FormulaC17H33F3N4O2
Molecular Weight382.47 g/mol
Exact Mass382.26
IUPAC Nametert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20N2O2.C7H13F3N2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-7(9,10)5-12-3-1-6(11)2-4-12/h8,11H,4-7H2,1-3H3,(H,12,13);6H,1-5,11H2
InChIKeyHCMXWGIPZCARCQ-UHFFFAOYSA-N
XLogP2.23
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate
CID 392872
tert-butyl N-((3R,4R)-3-fluoropiperidin-4-yl)carbamate
CID 53302083
tert-butyl N-[1-(piperidin-4-yl)piperidin-4-yl]carbamate
CID 53415234
Tert-butyl 4-amino-(1,4'-bipiperidine)-1'-carboxylate
CID 53415311
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
rac-tert-butyl N-[(2R,4S)-2-(trifluoromethyl)piperidin-4-yl]carbamate
CID 68562588
tert-butyl N-(3,3-difluoropiperidin-4-yl)carbamate
CID 72207657
t-Butyl (4R)-4-amino-3,3-difluoropiperidine-1-carboxylate
CID 86333108
Tert-butyl 4-[methyl(piperidin-4-yl)amino]piperidine-1-carboxylate
CID 156292820
tert-butyl N-[1-[3-(diethylamino)propyl]piperidin-4-yl]carbamate
CID 51108773
Tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 21993671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 158438383) is tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)(C)OC(=O)NC1CCNCC1.NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HCMXWGIPZCARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C7H13F3N2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-7(9,10)5-12-3-1-6(11)2-4-12/h8,11H,4-7H2,1-3H3,(H,12,13);6H,1-5,11H2.
What are the key properties of tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine?
tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-ylcarbamate;1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 158438383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).