1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one

C14H27NOSi — CID 71391613

IUPAC1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one
SMILESCC(C=CCC(=O)N1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-13(17(2,3)4)9-8-10-14(16)15-11-6-5-7-12-15/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyUKUKHLKORFYPQW-UHFFFAOYSA-N
MW253.46 g/mol
LogP3.67
Rot. Bonds4

About 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one

1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one (PubChem CID 71391613) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one
PubChem CID71391613
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one
SMILESCC(C=CCC(=O)N1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H27NOSi/c1-13(17(2,3)4)9-8-10-14(16)15-11-6-5-7-12-15/h8-9,13H,5-7,10-12H2,1-4H3
InChIKeyUKUKHLKORFYPQW-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-1-pyrrolidin-1-ylbut-3-en-1-one
CID 142246735
2-[[(E)-but-2-enyl]amino]-1-piperidin-1-ylethanone
CID 107899213
(E)-1-(azocan-1-yl)dec-3-en-1-one
CID 71738791
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
1-(azepan-1-yl)propan-1-one
CID 3613534
(2S)-2-methyl-5-oxo-5-piperidin-1-ylpentanal
CID 90877548
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one?
The IUPAC name of 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one (CID 71391613) is 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one.
What is the SMILES notation for 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one?
The canonical SMILES for 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one is CC(C=CCC(=O)N1CCCCC1)[Si](C)(C)C.
What is the InChIKey of 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one?
The InChIKey is UKUKHLKORFYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-13(17(2,3)4)9-8-10-14(16)15-11-6-5-7-12-15/h8-9,13H,5-7,10-12H2,1-4H3.
What are the key properties of 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one?
1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one has a molecular weight of 253.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-5-trimethylsilylhex-3-en-1-one is sourced from PubChem (CID 71391613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).