[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid

C12H24N2O2 — CID 67413355

IUPAC[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid
SMILESC[C@@H]1C[C@@H](N(C)C(=O)O)CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9-6-10(13(5)11(15)16)8-14(7-9)12(2,3)4/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyHSLRKJOBKSUCPU-NXEZZACHSA-N
MW228.34 g/mol
LogP2.11
Rot. Bonds1

About [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid

[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid (PubChem CID 67413355) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid
PubChem CID67413355
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid
SMILESC[C@@H]1C[C@@H](N(C)C(=O)O)CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9-6-10(13(5)11(15)16)8-14(7-9)12(2,3)4/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyHSLRKJOBKSUCPU-NXEZZACHSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Dimethylpiperidine-1-carboxylic acid
CID 89852041
Tert-butyl-[5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420391
tert-butyl-[(3R,5S)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420392
tert-butyl-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]methyl]carbamic acid
CID 69297544
4-(6,6,6-Trifluoro-2-methylhexan-2-yl)piperazine-1-carboxylic acid
CID 156118633
2-Tert-butyl-3-(fluoromethyl)-4-methylpiperazine-1-carboxylic acid
CID 174238138
(1-Azido-4-methylpentan-2-yl)-tert-butylcarbamic acid
CID 19820738
4-(Diethylaminomethyl)piperidine-1-carboxylic acid
CID 19976082
4-Methyl-3-(methylamino)piperidine-1-carboxylic acid
CID 21983814
4-Pentan-3-ylpiperazine-1-carboxylic acid
CID 22047700
4-[3-[Methyl(propyl)amino]propyl]piperidine-1-carboxylic acid
CID 22279431
3-[(Dimethylamino)methyl]piperidine-1-carboxylic acid
CID 22349178

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid?
The IUPAC name of [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid (CID 67413355) is [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid is C[C@@H]1C[C@@H](N(C)C(=O)O)CN(C(C)(C)C)C1.
What is the InChIKey of [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid?
The InChIKey is HSLRKJOBKSUCPU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-10(13(5)11(15)16)8-14(7-9)12(2,3)4/h9-10H,6-8H2,1-5H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid?
[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 67413355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).