tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate

C14H26N2O5 — CID 126827440

IUPACtert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
SMILESCOCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)21-12(19)16-7-5-14(10-17,6-8-16)15-11(18)9-20-4/h17H,5-10H2,1-4H3,(H,15,18)
InChIKeyRXQWIANGBJEQIJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.51
Rot. Bonds4

About tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate (PubChem CID 126827440) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
PubChem CID126827440
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
SMILESCOCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O5/c1-13(2,3)21-12(19)16-7-5-14(10-17,6-8-16)15-11(18)9-20-4/h17H,5-10H2,1-4H3,(H,15,18)
InChIKeyRXQWIANGBJEQIJ-UHFFFAOYSA-N
XLogP0.51
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate (CID 126827440) is tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate is COCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The InChIKey is RXQWIANGBJEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)21-12(19)16-7-5-14(10-17,6-8-16)15-11(18)9-20-4/h17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126827440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).