tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate

C18H26F2N2O2 — CID 59009363

IUPACtert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H26F2N2O2/c1-18(2,3)24-17(23)22-8-6-12(7-9-22)16(21)11-13-10-14(19)4-5-15(13)20/h4-5,10,12,16H,6-9,11,21H2,1-3H3
InChIKeyKTGZZSNJXJBDEU-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 59009363) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID59009363
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H26F2N2O2/c1-18(2,3)24-17(23)22-8-6-12(7-9-22)16(21)11-13-10-14(19)4-5-15(13)20/h4-5,10,12,16H,6-9,11,21H2,1-3H3
InChIKeyKTGZZSNJXJBDEU-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-methylcyclopropyl 4-(1-fluoro-2-(2-(2,3,6-trifluorophenyl)acetamido)ethyl)piperidine-1-carboxylate
CID 51346816
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
Tert-butyl 4-(1-(2-(3-fluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53317210
1-Methylcyclopropyl 4-(2-(2-(2,3,6-trifluorophenyl)acetamido)ethyl)piperidine-1-carboxylate
CID 53317211
cis-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylacetamide
CID 53317575
(R)-1-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)ethanone
CID 53317581
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
Tert-butyl 4-(1-(2-(2-fluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53318501
trans-(R)-1-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)piperidin-3-yl carbamate
CID 53318864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate (CID 59009363) is tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is KTGZZSNJXJBDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-18(2,3)24-17(23)22-8-6-12(7-9-22)16(21)11-13-10-14(19)4-5-15(13)20/h4-5,10,12,16H,6-9,11,21H2,1-3H3.
What are the key properties of tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 59009363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).