tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate

C12H24N2O3 — CID 97184307

IUPACtert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
SMILESCO[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-8-9-7-10(16-4)5-6-13-9/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXPNGYPONHJYIPU-NXEZZACHSA-N
MW244.33 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate (PubChem CID 97184307) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
PubChem CID97184307
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
SMILESCO[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-8-9-7-10(16-4)5-6-13-9/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXPNGYPONHJYIPU-NXEZZACHSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
tert-butyl N-[3-(piperidin-4-yloxy)propyl]carbamate
CID 72108010
1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate
CID 1501972
tert-butyl N-{[(2S)-piperidin-2-yl]methyl}carbamate
CID 1501973
tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 1502020
tert-Butyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 1502021

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate (CID 97184307) is tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate is CO[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate?
The InChIKey is XPNGYPONHJYIPU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-8-9-7-10(16-4)5-6-13-9/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 97184307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).