trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate

C15H28N2O2 — CID 12068984

IUPACtrans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)12-6-4-5-7-13(12)17-10-8-16-9-11-17/h12-13,16H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyOQOJODXLKJJXAQ-CHWSQXEVSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds2

About trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate

trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate (PubChem CID 12068984) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate
PubChem CID12068984
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametrans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)12-6-4-5-7-13(12)17-10-8-16-9-11-17/h12-13,16H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyOQOJODXLKJJXAQ-CHWSQXEVSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate (CID 12068984) is trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1N1CCNCC1.
What is the InChIKey of trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate?
The InChIKey is OQOJODXLKJJXAQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)12-6-4-5-7-13(12)17-10-8-16-9-11-17/h12-13,16H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate?
trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,2R)-2-piperazin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 12068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).