methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate

C12H22N2O3 — CID 11322458

IUPACmethyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](N2CCCCC2)[C@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)14-8-5-10(11(15)9-14)13-6-3-2-4-7-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyMXDKNDJTAPKGTJ-GHMZBOCLSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds1

About methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate

methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 11322458) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID11322458
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](N2CCCCC2)[C@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)14-8-5-10(11(15)9-14)13-6-3-2-4-7-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyMXDKNDJTAPKGTJ-GHMZBOCLSA-N
XLogP0.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate (CID 11322458) is methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate is COC(=O)N1CC[C@@H](N2CCCCC2)[C@H](O)C1.
What is the InChIKey of methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is MXDKNDJTAPKGTJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-12(16)14-8-5-10(11(15)9-14)13-6-3-2-4-7-13/h10-11,15H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate?
methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3-hydroxy-4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 11322458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).