ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate

C19H29NO3 — CID 42525830

IUPACethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-3-23-18(21)19(12-16-22-2)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3
InChIKeyCNEQJHVYXRUHIK-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.91
Rot. Bonds8

About ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate

ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 42525830) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID42525830
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Nameethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-3-23-18(21)19(12-16-22-2)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3
InChIKeyCNEQJHVYXRUHIK-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Meperidine
CID 4058
Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
Ethyl 1-hexyl-4-phenylpiperidine-4-carboxylate
CID 18957815
Ethyl 1-butyl-4-phenylpiperidine-4-carboxylate
CID 23275699
Ethyl 1-heptyl-4-phenylpiperidine-4-carboxylate
CID 44325821
Ethyl 1-nonyl-4-phenylpiperidine-4-carboxylate
CID 44325839
Ethyl 1-octyl-4-phenylpiperidine-4-carboxylate
CID 44326170
Ethyl 1-ethyl-4-phenylpiperidine-4-carboxylate
CID 44284477
Meperidine-D4
CID 45359019

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate (CID 42525830) is ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCOC)CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is CNEQJHVYXRUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-23-18(21)19(12-16-22-2)10-14-20(15-11-19)13-9-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 42525830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).