methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate

C22H35NO3Si — CID 76569225

IUPACmethyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N1CCCC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H35NO3Si/c1-22(2,3)27(5,6)26-17-18-10-9-15-23(16-18)20-12-8-7-11-19(20)13-14-21(24)25-4/h7-8,11-14,18H,9-10,15-17H2,1-6H3
InChIKeyCXEQEFKFHJBDNF-UHFFFAOYSA-N
MW389.61 g/mol
LogP5.11
Rot. Bonds6

About methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate

methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate (PubChem CID 76569225) has the molecular formula C22H35NO3Si and a molecular weight of 389.61 g/mol. Its IUPAC name is methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate
PubChem CID76569225
Molecular FormulaC22H35NO3Si
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC Namemethyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccccc1N1CCCC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H35NO3Si/c1-22(2,3)27(5,6)26-17-18-10-9-15-23(16-18)20-12-8-7-11-19(20)13-14-21(24)25-4/h7-8,11-14,18H,9-10,15-17H2,1-6H3
InChIKeyCXEQEFKFHJBDNF-UHFFFAOYSA-N
XLogP5.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
CID 169479575
methyl (E)-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]prop-2-enoate
CID 50992564
tert-butyl N-[6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoro-3-pyridinyl]carbamate
CID 46318074
CID 68831634
CID 68831634
methyl (E)-3-[2-[(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoate
CID 67492674
ethane;methyl (E)-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enoate
CID 145156916
tert-butyl N-[2-[1-(2-aminophenyl)piperidin-3-yl]ethyl]carbamate
CID 89272020
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 90457958
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
2-[3-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 106586934
(E)-3-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]prop-2-enoic acid
CID 79943190
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate (CID 76569225) is methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate is COC(=O)C=Cc1ccccc1N1CCCC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate?
The InChIKey is CXEQEFKFHJBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3Si/c1-22(2,3)27(5,6)26-17-18-10-9-15-23(16-18)20-12-8-7-11-19(20)13-14-21(24)25-4/h7-8,11-14,18H,9-10,15-17H2,1-6H3.
What are the key properties of methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate?
methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate has a molecular weight of 389.61 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]phenyl]prop-2-enoate is sourced from PubChem (CID 76569225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).