ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate

C17H23NO3 — CID 151101433

IUPACethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(19)12-14-8-10-18(11-9-14)13-15-4-6-16(20-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyMOEYXUORINURJQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate

ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate (PubChem CID 151101433) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate
PubChem CID151101433
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H23NO3/c1-3-21-17(19)12-14-8-10-18(11-9-14)13-15-4-6-16(20-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyMOEYXUORINURJQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
ethyl (E)-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 165134035
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
CID 73188801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate?
The IUPAC name of ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate (CID 151101433) is ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate.
What is the SMILES notation for ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate?
The canonical SMILES for ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate is CCOC(=O)C=C1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate?
The InChIKey is MOEYXUORINURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-21-17(19)12-14-8-10-18(11-9-14)13-15-4-6-16(20-2)7-5-15/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate?
ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate has a molecular weight of 289.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-methoxyphenyl)methyl]piperidin-4-ylidene]acetate is sourced from PubChem (CID 151101433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).