N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide

C12H20F4N2O — CID 103733678

IUPACN-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCCCN1CCC(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C12H20F4N2O/c1-2-3-6-18-7-4-9(5-8-18)17-11(19)12(15,16)10(13)14/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyDCMZSIITJDHEHZ-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.27
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide

N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733678) has the molecular formula C12H20F4N2O and a molecular weight of 284.30 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733678
Molecular FormulaC12H20F4N2O
Molecular Weight284.30 g/mol
Exact Mass284.15
IUPAC NameN-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCCCCN1CCC(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C12H20F4N2O/c1-2-3-6-18-7-4-9(5-8-18)17-11(19)12(15,16)10(13)14/h9-10H,2-8H2,1H3,(H,17,19)
InChIKeyDCMZSIITJDHEHZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 79805453
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 103733980
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935081
N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287721

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide (CID 103733678) is N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide is CCCCN1CCC(NC(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is DCMZSIITJDHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O/c1-2-3-6-18-7-4-9(5-8-18)17-11(19)12(15,16)10(13)14/h9-10H,2-8H2,1H3,(H,17,19).
What are the key properties of N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 284.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).