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

C19H29FN2O2 — CID 171479743

IUPACtert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)21-14-16-9-12-22(13-10-16)11-8-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,21,23)
InChIKeyGXZFARBPHCNKJB-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.60
Rot. Bonds5

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

tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate (PubChem CID 171479743) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
PubChem CID171479743
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)21-14-16-9-12-22(13-10-16)11-8-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,21,23)
InChIKeyGXZFARBPHCNKJB-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.60
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-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate (CID 171479743) is tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is GXZFARBPHCNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-19(2,3)24-18(23)21-14-16-9-12-22(13-10-16)11-8-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 336.45 g/mol, XLogP of 3.60, 5 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-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 171479743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).