1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide

C14H26F2N2O — CID 59788276

IUPAC1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(C)(C)C)CCC1(F)F
InChIInChI=1S/C14H26F2N2O/c1-6-17(7-2)12(19)11-10-18(13(3,4)5)9-8-14(11,15)16/h11H,6-10H2,1-5H3
InChIKeyAGLREKSEICPCLB-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.61
Rot. Bonds3

About 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide

1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide (PubChem CID 59788276) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
PubChem CID59788276
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(C)(C)C)CCC1(F)F
InChIInChI=1S/C14H26F2N2O/c1-6-17(7-2)12(19)11-10-18(13(3,4)5)9-8-14(11,15)16/h11H,6-10H2,1-5H3
InChIKeyAGLREKSEICPCLB-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide (CID 59788276) is 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(C)(C)C)CCC1(F)F.
What is the InChIKey of 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide?
The InChIKey is AGLREKSEICPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-6-17(7-2)12(19)11-10-18(13(3,4)5)9-8-14(11,15)16/h11H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide?
1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide is sourced from PubChem (CID 59788276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).