tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate

C13H24N2O4 — CID 71134848

IUPACtert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-7-5-13(9-16,6-8-15)10(17)14-4/h16H,5-9H2,1-4H3,(H,14,17)
InChIKeyGKOGWRUGNYLOJM-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.74
Rot. Bonds2

About tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 71134848) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID71134848
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-7-5-13(9-16,6-8-15)10(17)14-4/h16H,5-9H2,1-4H3,(H,14,17)
InChIKeyGKOGWRUGNYLOJM-UHFFFAOYSA-N
XLogP0.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 21882576
1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CID 57920278
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
Tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate hydrochloride
CID 146082065
Tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 71517198
Tert-butyl 4-(hydroxymethyl)-4-[(2,2,2-trifluoroacetamido)methyl]piperidine-1-carboxylate
CID 156250082
4-(2,2-Difluoropropylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 166454672
1-Boc-4-(hydroxymethyl)-4-piperidinecarboxylic acid
CID 21224251
1-tert-Butyl 4-ethyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CID 54228859
1-(2-(Tert-butoxycarbonylamino)acetyl)-4-(hydroxymethyl)piperidine-4-carboxylic acid
CID 57920280
Methyl 1-(2-(tert-butoxycarbonylamino)acetyl)-4-(hydroxymethyl)piperidine-4-carboxylate
CID 57920289
Methyl 4-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]piperidine-1-carboxylate
CID 57939457

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate (CID 71134848) is tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is GKOGWRUGNYLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(18)15-7-5-13(9-16,6-8-15)10(17)14-4/h16H,5-9H2,1-4H3,(H,14,17).
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 71134848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).