tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate

C21H38FNO2 — CID 58602453

IUPACtert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate
SMILESCC(C)(F)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H38FNO2/c1-19(2,3)25-18(24)23-15-13-21(14-16-23,12-11-20(4,5)22)17-9-7-6-8-10-17/h17H,6-16H2,1-5H3
InChIKeyGPNLQMGFNGLLEA-UHFFFAOYSA-N
MW355.54 g/mol
LogP6.11
Rot. Bonds4

About tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate (PubChem CID 58602453) has the molecular formula C21H38FNO2 and a molecular weight of 355.54 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate
PubChem CID58602453
Molecular FormulaC21H38FNO2
Molecular Weight355.54 g/mol
Exact Mass355.29
IUPAC Nametert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate
SMILESCC(C)(F)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H38FNO2/c1-19(2,3)25-18(24)23-15-13-21(14-16-23,12-11-20(4,5)22)17-9-7-6-8-10-17/h17H,6-16H2,1-5H3
InChIKeyGPNLQMGFNGLLEA-UHFFFAOYSA-N
XLogP6.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.54
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate (CID 58602453) is tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate is CC(C)(F)CCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate?
The InChIKey is GPNLQMGFNGLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FNO2/c1-19(2,3)25-18(24)23-15-13-21(14-16-23,12-11-20(4,5)22)17-9-7-6-8-10-17/h17H,6-16H2,1-5H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate has a molecular weight of 355.54 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate is sourced from PubChem (CID 58602453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).