tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate

C12H24N2O3 — CID 39348378

IUPACtert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate
SMILESCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-12(16,6-8-14)9-13-4/h13,16H,5-9H2,1-4H3
InChIKeyQBUNPDBAKSQTFE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate (PubChem CID 39348378) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate
PubChem CID39348378
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate
SMILESCNCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-12(16,6-8-14)9-13-4/h13,16H,5-9H2,1-4H3
InChIKeyQBUNPDBAKSQTFE-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-((4-hydroxypiperidin-4-yl)methyl)carbamate
CID 10868112
1-Boc-4-methyl-piperidin-4-OL
CID 22730812
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
CID 19691413
tert-butyl N-methyl-N-[2-(piperidin-4-yl)ethyl]carbamate
CID 23297746
tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 23396319
tert-Butyl 4-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylate
CID 45789931
tert-Butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
CID 46835695
Tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate
CID 53249196
tert-Butyl 4-(aminomethyl)-4-methoxypiperidine-1-carboxylate
CID 53399259
1-Piperidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester
CID 56698905

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate (CID 39348378) is tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate is CNCC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate?
The InChIKey is QBUNPDBAKSQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-12(16,6-8-14)9-13-4/h13,16H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(methylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 39348378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).