(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one

C13H25NOSi — CID 134895456

IUPAC(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one
SMILESCCC(=O)/C=C1/CCCCN1C[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-5-13(15)10-12-8-6-7-9-14(12)11-16(2,3)4/h10H,5-9,11H2,1-4H3/b12-10-
InChIKeyWVUKQVXFKXJLHM-BENRWUELSA-N
MW239.43 g/mol
LogP3.21
Rot. Bonds4

About (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one

(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one (PubChem CID 134895456) has the molecular formula C13H25NOSi and a molecular weight of 239.43 g/mol. Its IUPAC name is (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one.

Molecular Properties

Compound Name(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one
PubChem CID134895456
Molecular FormulaC13H25NOSi
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one
SMILESCCC(=O)/C=C1/CCCCN1C[Si](C)(C)C
InChIInChI=1S/C13H25NOSi/c1-5-13(15)10-12-8-6-7-9-14(12)11-16(2,3)4/h10H,5-9,11H2,1-4H3/b12-10-
InChIKeyWVUKQVXFKXJLHM-BENRWUELSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 67043396
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
CID 13587402
CID 13587402
(1E)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 58196005
1-[1-(Trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
CID 67043398
1-[1-(Trimethylsilylmethyl)-2,3-dihydropyrrol-5-yl]butan-2-one
CID 123318452
CID 13439360
CID 13439360
(1E)-1-(1-methylpiperidin-2-ylidene)propan-2-one
CID 15109302
4-Piperidin-1-ylpent-3-en-2-one
CID 23278406
3-Piperidin-1-ylcyclopent-2-en-1-one
CID 43839773
(1Z)-1-(1-methylpiperidin-2-ylidene)propan-2-one
CID 82651692

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one?
The IUPAC name of (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one (CID 134895456) is (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one.
What is the SMILES notation for (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one?
The canonical SMILES for (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one is CCC(=O)/C=C1/CCCCN1C[Si](C)(C)C.
What is the InChIKey of (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one?
The InChIKey is WVUKQVXFKXJLHM-BENRWUELSA-N. The full InChI is InChI=1S/C13H25NOSi/c1-5-13(15)10-12-8-6-7-9-14(12)11-16(2,3)4/h10H,5-9,11H2,1-4H3/b12-10-.
What are the key properties of (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one?
(1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one has a molecular weight of 239.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[1-(trimethylsilylmethyl)piperidin-2-ylidene]butan-2-one is sourced from PubChem (CID 134895456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).