difluoromethyl 4-benzylpiperidine-1-carboxylate

C14H17F2NO2 — CID 146161418

IUPACdifluoromethyl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OC(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)19-14(18)17-8-6-12(7-9-17)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyLYIGKBFUSQTFCU-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.30
Rot. Bonds3

About difluoromethyl 4-benzylpiperidine-1-carboxylate

difluoromethyl 4-benzylpiperidine-1-carboxylate (PubChem CID 146161418) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is difluoromethyl 4-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Namedifluoromethyl 4-benzylpiperidine-1-carboxylate
PubChem CID146161418
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Namedifluoromethyl 4-benzylpiperidine-1-carboxylate
SMILESO=C(OC(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H17F2NO2/c15-13(16)19-14(18)17-8-6-12(7-9-17)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyLYIGKBFUSQTFCU-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

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl 4-benzylpiperidine-1-carboxylate?
The IUPAC name of difluoromethyl 4-benzylpiperidine-1-carboxylate (CID 146161418) is difluoromethyl 4-benzylpiperidine-1-carboxylate.
What is the SMILES notation for difluoromethyl 4-benzylpiperidine-1-carboxylate?
The canonical SMILES for difluoromethyl 4-benzylpiperidine-1-carboxylate is O=C(OC(F)F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of difluoromethyl 4-benzylpiperidine-1-carboxylate?
The InChIKey is LYIGKBFUSQTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-13(16)19-14(18)17-8-6-12(7-9-17)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of difluoromethyl 4-benzylpiperidine-1-carboxylate?
difluoromethyl 4-benzylpiperidine-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 difluoromethyl 4-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 146161418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).