benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate

C20H23FN2O2 — CID 170459932

IUPACbenzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-6-8-19(9-7-18)22-14-16-10-12-23(13-11-16)20(24)25-15-17-4-2-1-3-5-17/h1-9,16,22H,10-15H2
InChIKeyLCUATPGEJFZKJJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.29
Rot. Bonds5

About benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate

benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate (PubChem CID 170459932) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
PubChem CID170459932
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Namebenzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CNc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O2/c21-18-6-8-19(9-7-18)22-14-16-10-12-23(13-11-16)20(24)25-15-17-4-2-1-3-5-17/h1-9,16,22H,10-15H2
InChIKeyLCUATPGEJFZKJJ-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(3-bromoanilino)methyl]piperidine-1-carboxylate
CID 170459934
benzyl 4-[(4-fluorophenyl)carbamoyl]piperazine-1-carboxylate
CID 20787792
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
benzyl 4-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]piperidine-1-carboxylate
CID 42880782
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 3-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 130472055
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate;methanesulfonic acid
CID 86749923

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate (CID 170459932) is benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CNc2ccc(F)cc2)CC1.
What is the InChIKey of benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate?
The InChIKey is LCUATPGEJFZKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-6-8-19(9-7-18)22-14-16-10-12-23(13-11-16)20(24)25-15-17-4-2-1-3-5-17/h1-9,16,22H,10-15H2.
What are the key properties of benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate?
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate has a molecular weight of 342.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 170459932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).