tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate

C20H31NO4 — CID 156701929

IUPACtert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC(C(C)(C)O)C1
InChIInChI=1S/C20H31NO4/c1-19(2,3)25-18(22)21-12-16(20(4,5)23)11-17(13-21)24-14-15-9-7-6-8-10-15/h6-10,16-17,23H,11-14H2,1-5H3
InChIKeyUFZGOYCUIVTSKU-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate

tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate (PubChem CID 156701929) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate
PubChem CID156701929
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Nametert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC(C(C)(C)O)C1
InChIInChI=1S/C20H31NO4/c1-19(2,3)25-18(22)21-12-16(20(4,5)23)11-17(13-21)24-14-15-9-7-6-8-10-15/h6-10,16-17,23H,11-14H2,1-5H3
InChIKeyUFZGOYCUIVTSKU-UHFFFAOYSA-N
XLogP3.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4S)-2-acetyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 170193477
tert-butyl 2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 14821718
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
tert-butyl (2R,4R)-2-(fluoromethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 164780190
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl 5-fluoro-3-hydroxyazepane-1-carboxylate;tert-butyl 5-fluoro-3-phenylmethoxyazepane-1-carboxylate;methane;methanol;palladium;dihydrate
CID 157436088
tert-butyl 3-[2-(phenylmethoxycarbonylamino)ethoxy]azetidine-1-carboxylate
CID 163373851
tert-butyl (2S,4R)-2-(2-methoxyacetyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 67422874
(2S,3S)-2-benzyl-3-hydroxy-3-[(4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]propanoic acid
CID 57486688
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate
CID 59066098
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate;ethane
CID 90773758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate (CID 156701929) is tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OCc2ccccc2)CC(C(C)(C)O)C1.
What is the InChIKey of tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is UFZGOYCUIVTSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-19(2,3)25-18(22)21-12-16(20(4,5)23)11-17(13-21)24-14-15-9-7-6-8-10-15/h6-10,16-17,23H,11-14H2,1-5H3.
What are the key properties of tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate?
tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxypropan-2-yl)-5-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 156701929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).