tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate

C17H33N3O4 — CID 126847223

IUPACtert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNCCN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O4/c1-16(2,3)24-15(21)20-7-4-17(22,5-8-20)14-18-6-9-19-10-12-23-13-11-19/h18,22H,4-14H2,1-3H3
InChIKeyANRDECPVNIIGRC-UHFFFAOYSA-N
MW343.47 g/mol
LogP0.67
Rot. Bonds5

About tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate (PubChem CID 126847223) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate
PubChem CID126847223
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNCCN2CCOCC2)CC1
InChIInChI=1S/C17H33N3O4/c1-16(2,3)24-15(21)20-7-4-17(22,5-8-20)14-18-6-9-19-10-12-23-13-11-19/h18,22H,4-14H2,1-3H3
InChIKeyANRDECPVNIIGRC-UHFFFAOYSA-N
XLogP0.67
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate (CID 126847223) is tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CNCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is ANRDECPVNIIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-16(2,3)24-15(21)20-7-4-17(22,5-8-20)14-18-6-9-19-10-12-23-13-11-19/h18,22H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 343.47 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 126847223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).