[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate

C22H33NO2 — CID 102264178

IUPAC[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate
SMILESCC1CCC(C(C)(C)c2ccccc2)C(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C22H33NO2/c1-17-12-13-19(22(2,3)18-10-6-4-7-11-18)20(16-17)25-21(24)23-14-8-5-9-15-23/h4,6-7,10-11,17,19-20H,5,8-9,12-16H2,1-3H3
InChIKeyFMPWNYLRICYIMV-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.39
Rot. Bonds3

About [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate

[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate (PubChem CID 102264178) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate
PubChem CID102264178
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate
SMILESCC1CCC(C(C)(C)c2ccccc2)C(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C22H33NO2/c1-17-12-13-19(22(2,3)18-10-6-4-7-11-18)20(16-17)25-21(24)23-14-8-5-9-15-23/h4,6-7,10-11,17,19-20H,5,8-9,12-16H2,1-3H3
InChIKeyFMPWNYLRICYIMV-UHFFFAOYSA-N
XLogP5.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate?
The IUPAC name of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate (CID 102264178) is [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate.
What is the SMILES notation for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate?
The canonical SMILES for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate is CC1CCC(C(C)(C)c2ccccc2)C(OC(=O)N2CCCCC2)C1.
What is the InChIKey of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate?
The InChIKey is FMPWNYLRICYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-17-12-13-19(22(2,3)18-10-6-4-7-11-18)20(16-17)25-21(24)23-14-8-5-9-15-23/h4,6-7,10-11,17,19-20H,5,8-9,12-16H2,1-3H3.
What are the key properties of [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate?
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate has a molecular weight of 343.51 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] piperidine-1-carboxylate is sourced from PubChem (CID 102264178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).