tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate

C23H35FN2O2 — CID 54284239

IUPACtert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H35FN2O2/c1-23(2,3)28-22(27)26-13-5-4-6-21(26)17-25-14-11-19(12-15-25)16-18-7-9-20(24)10-8-18/h7-10,19,21H,4-6,11-17H2,1-3H3
InChIKeyRSYYKBWVTVDRSP-UHFFFAOYSA-N
MW390.54 g/mol
LogP4.87
Rot. Bonds4

About tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate

tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 54284239) has the molecular formula C23H35FN2O2 and a molecular weight of 390.54 g/mol. Its IUPAC name is tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID54284239
Molecular FormulaC23H35FN2O2
Molecular Weight390.54 g/mol
Exact Mass390.27
IUPAC Nametert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H35FN2O2/c1-23(2,3)28-22(27)26-13-5-4-6-21(26)17-25-14-11-19(12-15-25)16-18-7-9-20(24)10-8-18/h7-10,19,21H,4-6,11-17H2,1-3H3
InChIKeyRSYYKBWVTVDRSP-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate (CID 54284239) is tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is RSYYKBWVTVDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O2/c1-23(2,3)28-22(27)26-13-5-4-6-21(26)17-25-14-11-19(12-15-25)16-18-7-9-20(24)10-8-18/h7-10,19,21H,4-6,11-17H2,1-3H3.
What are the key properties of tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 390.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 54284239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).