(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine

C19H34N2O2Si — CID 142734457

IUPAC(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C19H34N2O2Si/c1-19(2,3)24(4,5)23-15-18-12-11-17(13-20-18)21-22-14-16-9-7-6-8-10-16/h6-10,17-18,20-21H,11-15H2,1-5H3/t17?,18-/m0/s1
InChIKeyNUGPVXNEUMEHIK-ZVAWYAOSSA-N
MW350.58 g/mol
LogP3.85
Rot. Bonds7

About (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine

(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine (PubChem CID 142734457) has the molecular formula C19H34N2O2Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine.

Molecular Properties

Compound Name(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine
PubChem CID142734457
Molecular FormulaC19H34N2O2Si
Molecular Weight350.58 g/mol
Exact Mass350.24
IUPAC Name(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C19H34N2O2Si/c1-19(2,3)24(4,5)23-15-18-12-11-17(13-20-18)21-22-14-16-9-7-6-8-10-16/h6-10,17-18,20-21H,11-15H2,1-5H3/t17?,18-/m0/s1
InChIKeyNUGPVXNEUMEHIK-ZVAWYAOSSA-N
XLogP3.85
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 76534506
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
(3S,5S)-N,N-dibenzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-amine
CID 151840020
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
CID 141251927
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]-dimethylsilane
CID 14376888
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine?
The IUPAC name of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine (CID 142734457) is (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine.
What is the SMILES notation for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine?
The canonical SMILES for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC(NOCc2ccccc2)CN1.
What is the InChIKey of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine?
The InChIKey is NUGPVXNEUMEHIK-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H34N2O2Si/c1-19(2,3)24(4,5)23-15-18-12-11-17(13-20-18)21-22-14-16-9-7-6-8-10-16/h6-10,17-18,20-21H,11-15H2,1-5H3/t17?,18-/m0/s1.
What are the key properties of (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine?
(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine has a molecular weight of 350.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-phenylmethoxypiperidin-3-amine is sourced from PubChem (CID 142734457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).