[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

C16H29NO2 — CID 141175557

IUPAC[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyZMBIWMANKXBTLA-ZNMIVQPWSA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds2

About [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (PubChem CID 141175557) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
PubChem CID141175557
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyZMBIWMANKXBTLA-ZNMIVQPWSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-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 [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The IUPAC name of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (CID 141175557) is [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.
What is the SMILES notation for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The canonical SMILES for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N1CCCCC1.
What is the InChIKey of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The InChIKey is ZMBIWMANKXBTLA-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m0/s1.
What are the key properties of [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is sourced from PubChem (CID 141175557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).