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

C16H23FN2O2 — CID 21090461

IUPACtert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)18-13-8-10-19(11-9-13)14-6-4-12(17)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyRVULRCKAJOWROH-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.32
Rot. Bonds2

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

tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate (PubChem CID 21090461) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate
PubChem CID21090461
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)18-13-8-10-19(11-9-13)14-6-4-12(17)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,18,20)
InChIKeyRVULRCKAJOWROH-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
1-Boc-4-AP
CID 1491502
N-(4-Piperidinyl)phenylacetamide
CID 74156
Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
CID 719532
Ethyl 4-(2-((4-fluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
CID 931206
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
Ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2441116
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018
1-(4-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783214
1-(3-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783218
1-(2-Fluorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783219
Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate (CID 21090461) is tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate?
The InChIKey is RVULRCKAJOWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)18-13-8-10-19(11-9-13)14-6-4-12(17)5-7-14/h4-7,13H,8-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-fluorophenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 21090461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).