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

C17H33NO3 — CID 15736605

IUPACtert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate
SMILESCCCCC[C@@H](O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-5-6-7-11-15(19)13-14-10-8-9-12-18(14)16(20)21-17(2,3)4/h14-15,19H,5-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyVQSYQFIKICULRP-HUUCEWRRSA-N
MW299.45 g/mol
LogP4.11
Rot. Bonds6

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

tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate (PubChem CID 15736605) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate
PubChem CID15736605
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate
SMILESCCCCC[C@@H](O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-5-6-7-11-15(19)13-14-10-8-9-12-18(14)16(20)21-17(2,3)4/h14-15,19H,5-13H2,1-4H3/t14-,15-/m1/s1
InChIKeyVQSYQFIKICULRP-HUUCEWRRSA-N
XLogP4.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate (CID 15736605) is tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate is CCCCC[C@@H](O)C[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate?
The InChIKey is VQSYQFIKICULRP-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-6-7-11-15(19)13-14-10-8-9-12-18(14)16(20)21-17(2,3)4/h14-15,19H,5-13H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-2-hydroxyheptyl]piperidine-1-carboxylate is sourced from PubChem (CID 15736605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).