ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate

C19H25NO3 — CID 71271410

IUPACethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate
SMILESCCOC(=O)c1ccc(C=C2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C19H25NO3/c1-2-23-19(21)17-5-3-15(4-6-17)13-16-7-10-20(11-8-16)18-9-12-22-14-18/h3-6,13,18H,2,7-12,14H2,1H3
InChIKeySVIBQDNOEBPHPV-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.13
Rot. Bonds4

About ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate

ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate (PubChem CID 71271410) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate
PubChem CID71271410
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nameethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate
SMILESCCOC(=O)c1ccc(C=C2CCN(C3CCOC3)CC2)cc1
InChIInChI=1S/C19H25NO3/c1-2-23-19(21)17-5-3-15(4-6-17)13-16-7-10-20(11-8-16)18-9-12-22-14-18/h3-6,13,18H,2,7-12,14H2,1H3
InChIKeySVIBQDNOEBPHPV-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]benzoate
CID 71270984
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]-2-pyrrolidin-1-ylbenzaldehyde
CID 71506597
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
ethyl 4-(2-cyclopropylethenyl)benzoate
CID 66845963
ethyl 4-[4-[2-(1,3-dioxan-2-yl)ethylidene]piperidin-1-yl]benzoate
CID 22730063
ethyl 4-[4-[[4-[[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]phenyl]methylidene]piperidin-1-yl]benzoate
CID 67388908
ethyl 6-(oxolan-3-ylamino)pyridine-3-carboxylate
CID 80712830
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
CID 112707165
ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
CID 130248478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate?
The IUPAC name of ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate (CID 71271410) is ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate?
The canonical SMILES for ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate is CCOC(=O)c1ccc(C=C2CCN(C3CCOC3)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate?
The InChIKey is SVIBQDNOEBPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-23-19(21)17-5-3-15(4-6-17)13-16-7-10-20(11-8-16)18-9-12-22-14-18/h3-6,13,18H,2,7-12,14H2,1H3.
What are the key properties of ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate?
ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate has a molecular weight of 315.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(oxolan-3-yl)piperidin-4-ylidene]methyl]benzoate is sourced from PubChem (CID 71271410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).