benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

C23H27FN2O2 — CID 130453527

IUPACbenzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C23H27FN2O2/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/h1-10,20-21,25H,11-17H2
InChIKeyHVAHEEBZCZTWSZ-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.27
Rot. Bonds6

About benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate

benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 130453527) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
PubChem CID130453527
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Namebenzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C23H27FN2O2/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/h1-10,20-21,25H,11-17H2
InChIKeyHVAHEEBZCZTWSZ-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate (CID 130453527) is benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is HVAHEEBZCZTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/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/h1-10,20-21,25H,11-17H2.
What are the key properties of benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate?
benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 130453527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).