methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate

C11H21NO3 — CID 10656324

IUPACmethyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate
SMILESCC[C@@H](O)C[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-10(13)8-9-6-4-5-7-12(9)11(14)15-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWJKSXPGNYTTXCC-VHSXEESVSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds3

About methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate

methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate (PubChem CID 10656324) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate
PubChem CID10656324
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate
SMILESCC[C@@H](O)C[C@@H]1CCCCN1C(=O)OC
InChIInChI=1S/C11H21NO3/c1-3-10(13)8-9-6-4-5-7-12(9)11(14)15-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyWJKSXPGNYTTXCC-VHSXEESVSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate (CID 10656324) is methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate is CC[C@@H](O)C[C@@H]1CCCCN1C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate?
The InChIKey is WJKSXPGNYTTXCC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(13)8-9-6-4-5-7-12(9)11(14)15-2/h9-10,13H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate?
methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-hydroxybutyl]piperidine-1-carboxylate is sourced from PubChem (CID 10656324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).