tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate

C17H32N2O5 — CID 54512038

IUPACtert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CCC(CO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-16(2,3)23-14(21)18-9-13-8-7-12(11-20)10-19(13)15(22)24-17(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,18,21)
InChIKeyYJUVGKUYFDZCON-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate

tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate (PubChem CID 54512038) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
PubChem CID54512038
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nametert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NCC1CCC(CO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-16(2,3)23-14(21)18-9-13-8-7-12(11-20)10-19(13)15(22)24-17(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,18,21)
InChIKeyYJUVGKUYFDZCON-UHFFFAOYSA-N
XLogP2.52
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate (CID 54512038) is tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)NCC1CCC(CO)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is YJUVGKUYFDZCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-16(2,3)23-14(21)18-9-13-8-7-12(11-20)10-19(13)15(22)24-17(4,5)6/h12-13,20H,7-11H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate?
tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 54512038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).