tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate

C17H24FNO3 — CID 85470656

IUPACtert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)[C@@H](CO)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(13(10-19)11-20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3/t13-,15?/m1/s1
InChIKeyALBDGYQRKQAUJW-AFYYWNPRSA-N
MW309.38 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 85470656) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID85470656
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)[C@@H](CO)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(13(10-19)11-20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3/t13-,15?/m1/s1
InChIKeyALBDGYQRKQAUJW-AFYYWNPRSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
methyl (1R,5S)-3-[2-(3-fluorophenyl)ethynyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 72545304
Methyl 4-[3-(2-fluorobenzyl)-3-(hydroxymethyl)piperidin-1-yl]-4-oxobutanoate
CID 23723569
C18H24Fno3
CID 665079
[(3R,4S)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol
CID 9800834
methyl (1S,5R)-3-[2-(4-fluorophenyl)ethynyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 72545305
Tert-butyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 11312007
1-Boc-3-(4-fluorophenyl)piperidine
CID 122234266
Tert-butyl 4-hydroxy-4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate
CID 71756063
(1-(tert-Butoxycarbonyl)-4-(4-fluorophenyl)piperidin-4-yl)acetic acid
CID 11595231

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate (CID 85470656) is tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)[C@@H](CO)C1.
What is the InChIKey of tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is ALBDGYQRKQAUJW-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-9-8-15(13(10-19)11-20)12-4-6-14(18)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3/t13-,15?/m1/s1.
What are the key properties of tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 85470656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).