tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate

C19H29NO4 — CID 145270473

IUPACtert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
SMILESCOCC1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H29NO4/c1-19(2,3)24-18(21)20-11-10-17(15(12-20)13-22-4)14-6-8-16(23-5)9-7-14/h6-9,15,17H,10-13H2,1-5H3/t15?,17-/m0/s1
InChIKeyLEAUFGIZAXWDBB-LWKPJOBUSA-N
MW335.44 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate

tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate (PubChem CID 145270473) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
PubChem CID145270473
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate
SMILESCOCC1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H29NO4/c1-19(2,3)24-18(21)20-11-10-17(15(12-20)13-22-4)14-6-8-16(23-5)9-7-14/h6-9,15,17H,10-13H2,1-5H3/t15?,17-/m0/s1
InChIKeyLEAUFGIZAXWDBB-LWKPJOBUSA-N
XLogP3.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-3-amino-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 39872159
tert-butyl (4R,5S)-4-(hydroxymethyl)-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 153406776
tert-butyl 4-formyl-5-(4-methoxyphenyl)azepane-1-carboxylate
CID 175460460
tert-butyl 2-[(3S)-1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]acetate
CID 161142498
tert-butyl (3S,4R)-3-[2-(3-cyanophenyl)ethyl]-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 130263932
tert-butyl (3S,4R)-3-(4-methoxyphenyl)-4-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 153407398
tert-butyl (3S,4R)-4-(4-bromophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 126678374
tert-butyl (4R)-4-(4-methoxyphenyl)-3-methylpiperidine-1-carboxylate;3-methoxybenzonitrile
CID 145270458
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-ethoxyphenyl)piperidine-1-carboxylate
CID 175678871

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate (CID 145270473) is tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate is COCC1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1.
What is the InChIKey of tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate?
The InChIKey is LEAUFGIZAXWDBB-LWKPJOBUSA-N. The full InChI is InChI=1S/C19H29NO4/c1-19(2,3)24-18(21)20-11-10-17(15(12-20)13-22-4)14-6-8-16(23-5)9-7-14/h6-9,15,17H,10-13H2,1-5H3/t15?,17-/m0/s1.
What are the key properties of tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate?
tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-(methoxymethyl)-4-(4-methoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 145270473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).