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

C17H24FNO3 — CID 19084679

IUPACtert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13/h4-7,20H,8-12H2,1-3H3
InChIKeySEDWQNIPLRFSND-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.09
Rot. Bonds2

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

tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 19084679) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID19084679
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13/h4-7,20H,8-12H2,1-3H3
InChIKeySEDWQNIPLRFSND-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate (CID 19084679) is tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is SEDWQNIPLRFSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-16(2,3)22-15(21)19-10-8-17(12-20,9-11-19)13-4-6-14(18)7-5-13/h4-7,20H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 3.09, 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)-4-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 19084679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).