ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate

C19H29NO4 — CID 23723841

IUPACethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(CC(O)CO)CC1
InChIInChI=1S/C19H29NO4/c1-2-24-18(23)19(9-8-16-6-4-3-5-7-16)10-12-20(13-11-19)14-17(22)15-21/h3-7,17,21-22H,2,8-15H2,1H3
InChIKeyXZAJJGHJBXOSJW-UHFFFAOYSA-N
MW335.44 g/mol
LogP1.62
Rot. Bonds8

About ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate

ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 23723841) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID23723841
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nameethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(CC(O)CO)CC1
InChIInChI=1S/C19H29NO4/c1-2-24-18(23)19(9-8-16-6-4-3-5-7-16)10-12-20(13-11-19)14-17(22)15-21/h3-7,17,21-22H,2,8-15H2,1H3
InChIKeyXZAJJGHJBXOSJW-UHFFFAOYSA-N
XLogP1.62
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate (CID 23723841) is ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN(CC(O)CO)CC1.
What is the InChIKey of ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is XZAJJGHJBXOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-2-24-18(23)19(9-8-16-6-4-3-5-7-16)10-12-20(13-11-19)14-17(22)15-21/h3-7,17,21-22H,2,8-15H2,1H3.
What are the key properties of ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 23723841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).