tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate

C24H45NO2Si — CID 178018979

IUPACtert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate
SMILESCC(C)[Si](C#CCCCC1CCN(C(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C24H45NO2Si/c1-19(2)28(20(3)4,21(5)6)18-12-10-11-13-22-14-16-25(17-15-22)23(26)27-24(7,8)9/h19-22H,10-11,13-17H2,1-9H3
InChIKeyVJGXKNOSKHQWFT-UHFFFAOYSA-N
MW407.72 g/mol
LogP7.03
Rot. Bonds6

About tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate

tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate (PubChem CID 178018979) has the molecular formula C24H45NO2Si and a molecular weight of 407.72 g/mol. Its IUPAC name is tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate
PubChem CID178018979
Molecular FormulaC24H45NO2Si
Molecular Weight407.72 g/mol
Exact Mass407.32
IUPAC Nametert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate
SMILESCC(C)[Si](C#CCCCC1CCN(C(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C24H45NO2Si/c1-19(2)28(20(3)4,21(5)6)18-12-10-11-13-22-14-16-25(17-15-22)23(26)27-24(7,8)9/h19-22H,10-11,13-17H2,1-9H3
InChIKeyVJGXKNOSKHQWFT-UHFFFAOYSA-N
XLogP7.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.72
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-oct-7-ynylpiperidine-1-carboxylate
CID 170900277
tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 160709457
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[5-(1-chloroethoxy)-5-oxopentyl]piperidine-1-carboxylate
CID 68522837
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[(3-cyanopropylamino)methyl]piperidine-1-carboxylate
CID 71813990
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate (CID 178018979) is tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate is CC(C)[Si](C#CCCCC1CCN(C(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate?
The InChIKey is VJGXKNOSKHQWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO2Si/c1-19(2)28(20(3)4,21(5)6)18-12-10-11-13-22-14-16-25(17-15-22)23(26)27-24(7,8)9/h19-22H,10-11,13-17H2,1-9H3.
What are the key properties of tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate?
tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate has a molecular weight of 407.72 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-tri(propan-2-yl)silylpent-4-ynyl]piperidine-1-carboxylate is sourced from PubChem (CID 178018979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).