tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate

C17H25FN2O2 — CID 112544288

IUPACtert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
SMILESCN1CC(NC(=O)OC(C)(C)C)CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-9-13(10-20(4)11-15)12-5-7-14(18)8-6-12/h5-8,13,15H,9-11H2,1-4H3,(H,19,21)
InChIKeySDEULVJIGCXYMC-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate

tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate (PubChem CID 112544288) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
PubChem CID112544288
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
SMILESCN1CC(NC(=O)OC(C)(C)C)CC(c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-9-13(10-20(4)11-15)12-5-7-14(18)8-6-12/h5-8,13,15H,9-11H2,1-4H3,(H,19,21)
InChIKeySDEULVJIGCXYMC-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
tert-butyl N-[(3R,5R)-5-fluoro-1-[(1R,4S)-4-(4-fluorophenyl)-2-oxocyclopentyl]piperidin-3-yl]carbamate
CID 163860973
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-hydroxycyclopentyl]piperidin-3-yl]carbamate
CID 156630580
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
CID 107247467
N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
N-[5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]acetamide
CID 112541659
tert-butyl N-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771206

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate (CID 112544288) is tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate is CN1CC(NC(=O)OC(C)(C)C)CC(c2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate?
The InChIKey is SDEULVJIGCXYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-9-13(10-20(4)11-15)12-5-7-14(18)8-6-12/h5-8,13,15H,9-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate?
tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).