tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol

C17H26FNO3 — CID 175286879

IUPACtert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol
SMILESCC(C)(C)OC=O.CC1CC(O)CCN1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.C5H10O2/c1-9-8-12(15)6-7-14(9)11-4-2-10(13)3-5-11;1-5(2,3)7-4-6/h2-5,9,12,15H,6-8H2,1H3;4H,1-3H3
InChIKeyGYTKJJKCZCFXBG-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol

tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol (PubChem CID 175286879) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol
PubChem CID175286879
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Nametert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol
SMILESCC(C)(C)OC=O.CC1CC(O)CCN1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO.C5H10O2/c1-9-8-12(15)6-7-14(9)11-4-2-10(13)3-5-11;1-5(2,3)7-4-6/h2-5,9,12,15H,6-8H2,1H3;4H,1-3H3
InChIKeyGYTKJJKCZCFXBG-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.13
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

tert-butyl formate;1-(4-fluorophenoxy)azetidine
CID 174738741
4-(2-methylazetidin-1-yl)benzaldehyde
CID 106913616
tert-butyl formate;4-piperazin-1-ylcyclohexan-1-ol
CID 157274796
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
[1-(4-fluorophenyl)-2-methylpyrrolidin-3-yl]methanol
CID 117021991
tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 142818280
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
(3S,4R)-1-amino-4-methylpyrrolidin-3-ol;tert-butyl formate
CID 160939790
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
tert-butyl N-[[1-(4-fluoro-2-formylphenyl)azetidin-2-yl]methyl]carbamate
CID 162353310
tert-butyl formate;1-(4-chlorophenyl)piperidine-4-carbaldehyde
CID 175329358
tert-butyl (3S,5R)-4-(4-fluorophenyl)-3,5-dimethylpiperazine-1-carboxylate
CID 171770663

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol?
The IUPAC name of tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol (CID 175286879) is tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol.
What is the SMILES notation for tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol?
The canonical SMILES for tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol is CC(C)(C)OC=O.CC1CC(O)CCN1c1ccc(F)cc1.
What is the InChIKey of tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol?
The InChIKey is GYTKJJKCZCFXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.C5H10O2/c1-9-8-12(15)6-7-14(9)11-4-2-10(13)3-5-11;1-5(2,3)7-4-6/h2-5,9,12,15H,6-8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol?
tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol has a molecular weight of 311.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol is sourced from PubChem (CID 175286879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).