benzyl 4-(difluoromethyl)piperidine-1-carboxylate

C14H17F2NO2 — CID 86732159

IUPACbenzyl 4-(difluoromethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(F)F)CC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyHLRAVMGJDWTICV-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.30
Rot. Bonds3

About benzyl 4-(difluoromethyl)piperidine-1-carboxylate

benzyl 4-(difluoromethyl)piperidine-1-carboxylate (PubChem CID 86732159) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is benzyl 4-(difluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(difluoromethyl)piperidine-1-carboxylate
PubChem CID86732159
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Namebenzyl 4-(difluoromethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(C(F)F)CC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyHLRAVMGJDWTICV-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl 4-(difluoromethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(difluoromethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(difluoromethyl)piperidine-1-carboxylate (CID 86732159) is benzyl 4-(difluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(difluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(difluoromethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(C(F)F)CC1.
What is the InChIKey of benzyl 4-(difluoromethyl)piperidine-1-carboxylate?
The InChIKey is HLRAVMGJDWTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-13(16)12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of benzyl 4-(difluoromethyl)piperidine-1-carboxylate?
benzyl 4-(difluoromethyl)piperidine-1-carboxylate has a molecular weight of 269.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(difluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 86732159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).