ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate

C19H27NO3 — CID 11971870

IUPACethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO3/c1-2-22-18(21)19(16-7-4-3-5-8-16)10-12-20(13-11-19)15-17-9-6-14-23-17/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyXHVUNHHOQQSROO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.76
Rot. Bonds5

About ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate

ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 11971870) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
PubChem CID11971870
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nameethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO3/c1-2-22-18(21)19(16-7-4-3-5-8-16)10-12-20(13-11-19)15-17-9-6-14-23-17/h3-5,7-8,17H,2,6,9-15H2,1H3
InChIKeyXHVUNHHOQQSROO-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
CID 20833920
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate (CID 11971870) is ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CC2CCCO2)CC1.
What is the InChIKey of ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is XHVUNHHOQQSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-22-18(21)19(16-7-4-3-5-8-16)10-12-20(13-11-19)15-17-9-6-14-23-17/h3-5,7-8,17H,2,6,9-15H2,1H3.
What are the key properties of ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate?
ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 11971870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).