1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide

C10H17F3N2O — CID 18678407

IUPAC1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-6-2-8(3-7-15)9(14)16/h8H,1-7H2,(H2,14,16)
InChIKeyRFERSCDVPQANBO-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.53
Rot. Bonds4

About 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide

1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide (PubChem CID 18678407) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
PubChem CID18678407
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-6-2-8(3-7-15)9(14)16/h8H,1-7H2,(H2,14,16)
InChIKeyRFERSCDVPQANBO-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide (CID 18678407) is 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide is NC(=O)C1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
The InChIKey is RFERSCDVPQANBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)4-1-5-15-6-2-8(3-7-15)9(14)16/h8H,1-7H2,(H2,14,16).
What are the key properties of 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide?
1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide is sourced from PubChem (CID 18678407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).