tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate

C17H25FN2O2 — CID 59321362

IUPACtert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-6-4-5-7-14(13)18/h4-7H,8-12,19H2,1-3H3
InChIKeyLMODAZOWQOTKJZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate (PubChem CID 59321362) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
PubChem CID59321362
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-6-4-5-7-14(13)18/h4-7H,8-12,19H2,1-3H3
InChIKeyLMODAZOWQOTKJZ-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
Carbamic acid, ((4-phenyl-4-piperidinyl)methyl)-, ethyl ester
CID 55146
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
Tert-butyl 4-(1-(2-(3-fluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53317210
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
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
Tert-butyl 4-(1-(2-(2,6-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53321124
Tert-butyl 4-(1-(2-(2,5-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53322450
Tert-butyl 4-(1-(2-(2,3-difluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53323811
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate (CID 59321362) is tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2F)CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is LMODAZOWQOTKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-10-8-17(12-19,9-11-20)13-6-4-5-7-14(13)18/h4-7H,8-12,19H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 3.05, 2 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-(2-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 59321362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).