tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate

C13H25NO3 — CID 10377133

IUPACtert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyTZLDOZMPGLEGAW-QWRGUYRKSA-N
MW243.35 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 10377133) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate
PubChem CID10377133
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyTZLDOZMPGLEGAW-QWRGUYRKSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Icaridin
CID 125098
Tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 5103438
1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
tert-Butyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933954
(S)-1-N-Boc-piperidine-2-ethanol
CID 1514243
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933953
tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97357242
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
N-Boc-piperidine-2-methanol
CID 2763853
1,1-Dimethylethyl (2R)-2-(2-hydroxyethyl)-1-piperidinecarboxylate
CID 1514244

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate (CID 10377133) is tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate is CC[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is TZLDOZMPGLEGAW-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-11(15)10-8-6-7-9-14(10)12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1S)-1-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 10377133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).