Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate

C14H25F3N2O2 — CID 59983214

IUPACtert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)NCCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-5-11(6-10-19)18-8-4-7-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyFGNUWWKFIJCTGG-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.10
Rot. Bonds6

About Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate

Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate (PubChem CID 59983214) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate
PubChem CID59983214
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nametert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC1)NCCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-5-11(6-10-19)18-8-4-7-14(15,16)17/h11,18H,4-10H2,1-3H3
InChIKeyFGNUWWKFIJCTGG-UHFFFAOYSA-N
XLogP3.10
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity332

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
tert-butyl N-(cyclopropylmethyl)-N-(piperidin-4-yl)carbamate
CID 50986369

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate (CID 59983214) is tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC1)NCCCC(F)(F)F.
What is the InChIKey of Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate?
The InChIKey is FGNUWWKFIJCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-9-5-11(6-10-19)18-8-4-7-14(15,16)17/h11,18H,4-10H2,1-3H3.
What are the key properties of Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate?
Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 4-(4,4,4-trifluorobutylamino)piperidine-1-carboxylate is sourced from PubChem (CID 59983214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).