tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate

C15H21BrFN3O2 — CID 146251895

IUPACtert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)CC1F
InChIInChI=1S/C15H21BrFN3O2/c1-15(2,3)22-14(21)19-12-6-7-20(9-11(12)17)13-5-4-10(16)8-18-13/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,21)/t11?,12-/m1/s1
InChIKeyZLEONZXWAJYPIT-PIJUOVFKSA-N
MW374.25 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate

tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate (PubChem CID 146251895) has the molecular formula C15H21BrFN3O2 and a molecular weight of 374.25 g/mol. Its IUPAC name is tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate
PubChem CID146251895
Molecular FormulaC15H21BrFN3O2
Molecular Weight374.25 g/mol
Exact Mass373.08
IUPAC Nametert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)CC1F
InChIInChI=1S/C15H21BrFN3O2/c1-15(2,3)22-14(21)19-12-6-7-20(9-11(12)17)13-5-4-10(16)8-18-13/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,21)/t11?,12-/m1/s1
InChIKeyZLEONZXWAJYPIT-PIJUOVFKSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate (CID 146251895) is tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Br)cn2)CC1F.
What is the InChIKey of tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate?
The InChIKey is ZLEONZXWAJYPIT-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H21BrFN3O2/c1-15(2,3)22-14(21)19-12-6-7-20(9-11(12)17)13-5-4-10(16)8-18-13/h4-5,8,11-12H,6-7,9H2,1-3H3,(H,19,21)/t11?,12-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate?
tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate has a molecular weight of 374.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]carbamate is sourced from PubChem (CID 146251895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).