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

C17H24FNO3 — CID 10614840

IUPACtert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyUPXBKNVHTILOPR-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.51
Rot. Bonds2

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

tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate (PubChem CID 10614840) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
PubChem CID10614840
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyUPXBKNVHTILOPR-UHFFFAOYSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
(4-Fluoro-phenyl)-(1-phenethyl-piperidin-4-yl)-methanol
CID 10245066
(4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol
CID 15212884
Ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
CID 3243816
2-[1-(2-Cyclopropyl-ethyl)-piperidin-4-yl]-1-(4-fluoro-phenyl)-ethanol
CID 9971541
(4-Fluoro-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol
CID 10042333
1-(4-Fluorophenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanol;hydrate
CID 44358061
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490
n-Cbz-3-hydroxypiperidine
CID 561665
(R)-Benzyl 3-hydroxypiperidine-1-carboxylate
CID 6932652

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate (CID 10614840) is tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate?
The InChIKey is UPXBKNVHTILOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10614840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).