tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate

C18H26FNO2 — CID 134385677

IUPACtert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FNO2/c1-18(2,3)22-17(21)20-12-10-14(11-13-20)8-9-15-6-4-5-7-16(15)19/h4-7,14H,8-13H2,1-3H3
InChIKeyKDJUOTYVNDNVKC-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 134385677) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID134385677
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FNO2/c1-18(2,3)22-17(21)20-12-10-14(11-13-20)8-9-15-6-4-5-7-16(15)19/h4-7,14H,8-13H2,1-3H3
InChIKeyKDJUOTYVNDNVKC-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[2-(2-oxo-1H-pyridin-3-yl)ethyl]piperidine-1-carboxylate
CID 19380941
tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928512
tert-butyl 4-[(2-fluorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 71629905
tert-butyl 4-[[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111266852
tert-butyl 3-[(2-fluorophenyl)methylamino]pyrrolidine-1-carboxylate
CID 78960868
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[(2-fluorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632883
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[4-[(2-fluorophenyl)methyl]-1-methoxycyclohexyl]piperazine-1-carboxylate
CID 69349923

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate (CID 134385677) is tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2ccccc2F)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is KDJUOTYVNDNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-18(2,3)22-17(21)20-12-10-14(11-13-20)8-9-15-6-4-5-7-16(15)19/h4-7,14H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 307.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 134385677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).