benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate

C16H24N2O3 — CID 68600823

IUPACbenzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate
SMILESCOCCNC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c1-20-12-9-17-15-7-10-18(11-8-15)16(19)21-13-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3
InChIKeyMRSBPLMYLLOCIF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.02
Rot. Bonds6

About benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate

benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate (PubChem CID 68600823) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate
PubChem CID68600823
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate
SMILESCOCCNC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c1-20-12-9-17-15-7-10-18(11-8-15)16(19)21-13-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3
InChIKeyMRSBPLMYLLOCIF-UHFFFAOYSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate (CID 68600823) is benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate is COCCNC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate?
The InChIKey is MRSBPLMYLLOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-12-9-17-15-7-10-18(11-8-15)16(19)21-13-14-5-3-2-4-6-14/h2-6,15,17H,7-13H2,1H3.
What are the key properties of benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate?
benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-methoxyethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 68600823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).