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

C18H27NO3 — CID 10780918

IUPACtert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-16(19)15(13-20)14-9-5-4-6-10-14/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyFGQXWWOVQDZPBL-HZPDHXFCSA-N
MW305.42 g/mol
LogP3.55
Rot. Bonds3

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

tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate (PubChem CID 10780918) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate
PubChem CID10780918
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-16(19)15(13-20)14-9-5-4-6-10-14/h4-6,9-10,15-16,20H,7-8,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyFGQXWWOVQDZPBL-HZPDHXFCSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate (CID 10780918) is tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate?
The InChIKey is FGQXWWOVQDZPBL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19-12-8-7-11-16(19)15(13-20)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-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.55, 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-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10780918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).