[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate

C17H31NO2 — CID 7452184

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCCCC1
InChIInChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3/t14-,15+,16-/m1/s1
InChIKeyOGERQOKJJMDILG-OWCLPIDISA-N
MW281.44 g/mol
LogP3.48
Rot. Bonds4

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate (PubChem CID 7452184) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate
PubChem CID7452184
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCCCC1
InChIInChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3/t14-,15+,16-/m1/s1
InChIKeyOGERQOKJJMDILG-OWCLPIDISA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate (CID 7452184) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCCCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate?
The InChIKey is OGERQOKJJMDILG-OWCLPIDISA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3/t14-,15+,16-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate has a molecular weight of 281.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-piperidin-1-ylacetate is sourced from PubChem (CID 7452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).