tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C16H30N2O5 — CID 45139438

IUPACtert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O5/c1-14(2,3)22-12(20)17-16(11-19)7-9-18(10-8-16)13(21)23-15(4,5)6/h19H,7-11H2,1-6H3,(H,17,20)
InChIKeyDERKMRVPUWSKRN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds2

About tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 45139438) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID45139438
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O5/c1-14(2,3)22-12(20)17-16(11-19)7-9-18(10-8-16)13(21)23-15(4,5)6/h19H,7-11H2,1-6H3,(H,17,20)
InChIKeyDERKMRVPUWSKRN-UHFFFAOYSA-N
XLogP2.27
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
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-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 45139438) is tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is DERKMRVPUWSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-14(2,3)22-12(20)17-16(11-19)7-9-18(10-8-16)13(21)23-15(4,5)6/h19H,7-11H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.27, 2 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-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 45139438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).