[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate

C19H27NO3 — CID 134877565

IUPAC[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate
SMILESCOC1CCCCN1C(=O)O[C@@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-22-18-13-7-8-14-20(18)19(21)23-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-4,9-10,16-18H,5-8,11-14H2,1H3/t16-,17-,18?/m1/s1
InChIKeyFQHQUYLIYJRQKJ-OWZOALSMSA-N
MW317.43 g/mol
LogP4.31
Rot. Bonds3

About [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate

[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate (PubChem CID 134877565) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate
PubChem CID134877565
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate
SMILESCOC1CCCCN1C(=O)O[C@@H]1CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C19H27NO3/c1-22-18-13-7-8-14-20(18)19(21)23-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-4,9-10,16-18H,5-8,11-14H2,1H3/t16-,17-,18?/m1/s1
InChIKeyFQHQUYLIYJRQKJ-OWZOALSMSA-N
XLogP4.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-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 [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate?
The IUPAC name of [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate (CID 134877565) is [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate.
What is the SMILES notation for [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate?
The canonical SMILES for [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate is COC1CCCCN1C(=O)O[C@@H]1CCCC[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate?
The InChIKey is FQHQUYLIYJRQKJ-OWZOALSMSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-18-13-7-8-14-20(18)19(21)23-17-12-6-5-11-16(17)15-9-3-2-4-10-15/h2-4,9-10,16-18H,5-8,11-14H2,1H3/t16-,17-,18?/m1/s1.
What are the key properties of [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate?
[(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-phenylcyclohexyl] 2-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 134877565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).