[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate

C20H24N2O3 — CID 175027979

IUPAC[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate
SMILESO=COC(c1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C20H24N2O3/c23-15-24-20(17-9-5-2-6-10-17)19-12-11-18(13-21-19)22-25-14-16-7-3-1-4-8-16/h1-10,15,18-22H,11-14H2/t18-,19+,20?/m1/s1
InChIKeyBNMIRLUDCKRCQC-LFPSWIHMSA-N
MW340.42 g/mol
LogP2.74
Rot. Bonds8

About [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate

[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate (PubChem CID 175027979) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate.

Molecular Properties

Compound Name[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate
PubChem CID175027979
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate
SMILESO=COC(c1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1
InChIInChI=1S/C20H24N2O3/c23-15-24-20(17-9-5-2-6-10-17)19-12-11-18(13-21-19)22-25-14-16-7-3-1-4-8-16/h1-10,15,18-22H,11-14H2/t18-,19+,20?/m1/s1
InChIKeyBNMIRLUDCKRCQC-LFPSWIHMSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

oxalic acid;[phenyl-[5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate
CID 174892097
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
[phenyl(pyrrolidin-2-yl)methyl] formate
CID 174954003
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
benzyl [(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl] carbonate;oxalic acid
CID 121468793
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507

Frequently Asked Questions

What is the IUPAC name of [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate?
The IUPAC name of [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate (CID 175027979) is [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate.
What is the SMILES notation for [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate?
The canonical SMILES for [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate is O=COC(c1ccccc1)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1.
What is the InChIKey of [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate?
The InChIKey is BNMIRLUDCKRCQC-LFPSWIHMSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-15-24-20(17-9-5-2-6-10-17)19-12-11-18(13-21-19)22-25-14-16-7-3-1-4-8-16/h1-10,15,18-22H,11-14H2/t18-,19+,20?/m1/s1.
What are the key properties of [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate?
[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate has a molecular weight of 340.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate is sourced from PubChem (CID 175027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).