methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate

C15H21NO3 — CID 159350997

IUPACmethyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](COCc2ccccc2)CN1
InChIInChI=1S/C15H21NO3/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m1/s1
InChIKeyPXYDTBHNSSLMHB-KGLIPLIRSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds5

About methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate

methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate (PubChem CID 159350997) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
PubChem CID159350997
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](COCc2ccccc2)CN1
InChIInChI=1S/C15H21NO3/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m1/s1
InChIKeyPXYDTBHNSSLMHB-KGLIPLIRSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
methyl 4-(4-phenylmethoxybutyl)pyrrolidine-2-carboxylate
CID 142090727
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
[(2S)-4-(phenylmethoxymethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 126509276
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
1-(methylamino)-3-(phenylmethoxymethyl)cyclobutane-1-carboxylic acid
CID 58601842
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate (CID 159350997) is methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate is COC(=O)[C@@H]1CC[C@@H](COCc2ccccc2)CN1.
What is the InChIKey of methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate?
The InChIKey is PXYDTBHNSSLMHB-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)14-8-7-13(9-16-14)11-19-10-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate?
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate is sourced from PubChem (CID 159350997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).