tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine

C17H26FNO3 — CID 175274802

IUPACtert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
SMILESCC(C)(C)OC=O.Fc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C12H16FNO.C5H10O2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;1-5(2,3)7-4-6/h1-4,10,14H,5-9H2;4H,1-3H3
InChIKeyOFKJUEUCQGWIOM-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine

tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 175274802) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Nametert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
PubChem CID175274802
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Nametert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
SMILESCC(C)(C)OC=O.Fc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C12H16FNO.C5H10O2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;1-5(2,3)7-4-6/h1-4,10,14H,5-9H2;4H,1-3H3
InChIKeyOFKJUEUCQGWIOM-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 142818280
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
tert-butyl formate;3-nitro-4-(piperidin-4-ylmethoxy)pyridine
CID 175294004
4-[(4-bromo-3-fluorophenyl)methyl]piperidine;tert-butyl formate
CID 174621777

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine?
The IUPAC name of tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine (CID 175274802) is tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine is CC(C)(C)OC=O.Fc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is OFKJUEUCQGWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.C5H10O2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;1-5(2,3)7-4-6/h1-4,10,14H,5-9H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine?
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine has a molecular weight of 311.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 175274802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).