tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate

C17H25NO3 — CID 68644853

IUPACtert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](COc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-11-7-8-14(12-18)13-20-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyKQQIWUGMUDTBLJ-CQSZACIVSA-N
MW291.39 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate

tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate (PubChem CID 68644853) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
PubChem CID68644853
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](COc2ccccc2)C1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-11-7-8-14(12-18)13-20-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyKQQIWUGMUDTBLJ-CQSZACIVSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[4-(hydroxymethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 155887414
tert-butyl 3-[(4-ethynylphenoxy)methyl]piperidine-1-carboxylate
CID 155887415
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
4-tert-butyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]benzoic acid
CID 68534159
tert-butyl (3S)-3-(1,3-benzoxazol-2-yloxymethyl)piperidine-1-carboxylate
CID 97172434
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl (3S)-3-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97172386

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate (CID 68644853) is tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate?
The InChIKey is KQQIWUGMUDTBLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-16(19)18-11-7-8-14(12-18)13-20-15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 68644853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).