tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate

C18H27NO3 — CID 11197513

IUPACtert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-15(19)13-16(20)14-9-5-4-6-10-14/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyJJSHQEUQYFNZAY-CVEARBPZSA-N
MW305.42 g/mol
LogP3.90
Rot. Bonds3

About tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate (PubChem CID 11197513) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
PubChem CID11197513
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@H](O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-15(19)13-16(20)14-9-5-4-6-10-14/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyJJSHQEUQYFNZAY-CVEARBPZSA-N
XLogP3.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate (CID 11197513) is tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1C[C@H](O)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
The InChIKey is JJSHQEUQYFNZAY-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-15(19)13-16(20)14-9-5-4-6-10-14/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 11197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).