tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate

C17H25FN2O2 — CID 21026559

IUPACtert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)18/h4-7,14H,8-12H2,1-3H3,(H,19,21)
InChIKeyLLXBTPBIPVNVJJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.31
Rot. Bonds3

About tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 21026559) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate
PubChem CID21026559
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)18/h4-7,14H,8-12H2,1-3H3,(H,19,21)
InChIKeyLLXBTPBIPVNVJJ-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate (CID 21026559) is tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is LLXBTPBIPVNVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)18/h4-7,14H,8-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 21026559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).