tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate

C11H21NO3 — CID 135057141

IUPACtert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO)CCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-6-8(7-13)4-5-12-9/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyIOHSCGURZWJWQP-DTWKUNHWSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds2

About tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate

tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate (PubChem CID 135057141) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
PubChem CID135057141
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1C[C@@H](CO)CCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-6-8(7-13)4-5-12-9/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeyIOHSCGURZWJWQP-DTWKUNHWSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate 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

Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate
CID 10313307
rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate
CID 15697774
(2S,4S,5S)-5-Hydroxy-4-methylpiperidine-2-carboxylic acid
CID 45082299
Dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
CID 91293083
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991
4-(3-Fluoropropoxymethyl)piperidine-2-carboxylic acid
CID 18446264
4-(2,2-Difluoroethoxymethyl)-4-fluoropiperidine-2-carboxylic acid
CID 18446275
4-Fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 162523043
2-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, (2S-cis)-
CID 9920488
cis-4-Methoxycarbonyl-2-piperidinecarboxylic acid
CID 13353754

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate (CID 135057141) is tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1C[C@@H](CO)CCN1.
What is the InChIKey of tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate?
The InChIKey is IOHSCGURZWJWQP-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9-6-8(7-13)4-5-12-9/h8-9,12-13H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate?
tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate is sourced from PubChem (CID 135057141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).