ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate

C19H28N2O3 — CID 75385964

IUPACethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-2-24-19(22)17-4-3-9-20(15-17)14-16-5-7-18(8-6-16)21-10-12-23-13-11-21/h5-8,17H,2-4,9-15H2,1H3
InChIKeyMVAVJFVHZLFUQY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.30
Rot. Bonds5

About ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 75385964) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
PubChem CID75385964
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C19H28N2O3/c1-2-24-19(22)17-4-3-9-20(15-17)14-16-5-7-18(8-6-16)21-10-12-23-13-11-21/h5-8,17H,2-4,9-15H2,1H3
InChIKeyMVAVJFVHZLFUQY-UHFFFAOYSA-N
XLogP2.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561215
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
ethyl 1-[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993724
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
ethyl (3S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 81338404
ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate (CID 75385964) is ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is MVAVJFVHZLFUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-24-19(22)17-4-3-9-20(15-17)14-16-5-7-18(8-6-16)21-10-12-23-13-11-21/h5-8,17H,2-4,9-15H2,1H3.
What are the key properties of ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 75385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).