ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate

C18H25NO2 — CID 154941304

IUPACethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-21-17(20)12-16-10-11-19(18(2,3)13-16)14-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3/b16-12-
InChIKeyBWUZANHKSNGQLY-VBKFSLOCSA-N
MW287.40 g/mol
LogP3.55
Rot. Bonds4

About ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate

ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate (PubChem CID 154941304) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate
PubChem CID154941304
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-21-17(20)12-16-10-11-19(18(2,3)13-16)14-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3/b16-12-
InChIKeyBWUZANHKSNGQLY-VBKFSLOCSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl 2-(1-benzylazepan-3-ylidene)acetate
CID 86619134
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
ethyl 2-(1-benzyl-3,3-difluoropiperidin-4-ylidene)acetate
CID 131847408
tert-butyl 4-(2-ethoxy-2-oxoethylidene)-2,2-dimethylpiperidine-1-carboxylate
CID 155892024
ethyl (2E)-2-(1-benzylazepan-2-ylidene)acetate
CID 10378598
diethyl 1-benzyl-3-methylidenepyrrolidine-2,2-dicarboxylate
CID 102257993
ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate
CID 151101433
ethyl (2E)-2-(6-benzyl-6-azabicyclo[3.1.0]hexan-2-ylidene)acetate
CID 25098648
ethyl (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)acetate
CID 129213016
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate (CID 154941304) is ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate is CCOC(=O)/C=C1/CCN(Cc2ccccc2)C(C)(C)C1.
What is the InChIKey of ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate?
The InChIKey is BWUZANHKSNGQLY-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-21-17(20)12-16-10-11-19(18(2,3)13-16)14-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13-14H2,1-3H3/b16-12-.
What are the key properties of ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate?
ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate has a molecular weight of 287.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate is sourced from PubChem (CID 154941304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).