cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate

C23H33FN2O2 — CID 137422442

IUPACcyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCCCC1)N1CCC(F)(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H33FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h2,5-6,9-10,18,20-21,25H,1,3-4,7-8,11-17H2/t20-,21+/m0/s1
InChIKeyOXVZSAANYAHSSG-LEWJYISDSA-N
MW388.53 g/mol
LogP4.65
Rot. Bonds6

About cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate

cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 137422442) has the molecular formula C23H33FN2O2 and a molecular weight of 388.53 g/mol. Its IUPAC name is cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
PubChem CID137422442
Molecular FormulaC23H33FN2O2
Molecular Weight388.53 g/mol
Exact Mass388.25
IUPAC Namecyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCC1CCCCC1)N1CCC(F)(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C23H33FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h2,5-6,9-10,18,20-21,25H,1,3-4,7-8,11-17H2/t20-,21+/m0/s1
InChIKeyOXVZSAANYAHSSG-LEWJYISDSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate (CID 137422442) is cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate is O=C(OCC1CCCCC1)N1CCC(F)(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is OXVZSAANYAHSSG-LEWJYISDSA-N. The full InChI is InChI=1S/C23H33FN2O2/c24-23(17-25-21-15-20(21)19-9-5-2-6-10-19)11-13-26(14-12-23)22(27)28-16-18-7-3-1-4-8-18/h2,5-6,9-10,18,20-21,25H,1,3-4,7-8,11-17H2/t20-,21+/m0/s1.
What are the key properties of cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate?
cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 388.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137422442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).