1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine

C9H16F4N2 — CID 103529557

IUPAC1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
SMILESCN1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H16F4N2/c1-15-4-2-7(3-5-15)14-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3
InChIKeyDIFOPUAMNWVPOK-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.57
Rot. Bonds4

About 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine

1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine (PubChem CID 103529557) has the molecular formula C9H16F4N2 and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
PubChem CID103529557
Molecular FormulaC9H16F4N2
Molecular Weight228.23 g/mol
Exact Mass228.12
IUPAC Name1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
SMILESCN1CCC(NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H16F4N2/c1-15-4-2-7(3-5-15)14-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3
InChIKeyDIFOPUAMNWVPOK-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
CID 103529328
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 114168984
3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
CID 106289857
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879
N-[2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859486
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934178
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine (CID 103529557) is 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine is CN1CCC(NCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
The InChIKey is DIFOPUAMNWVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4N2/c1-15-4-2-7(3-5-15)14-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3.
What are the key properties of 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine?
1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine has a molecular weight of 228.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine is sourced from PubChem (CID 103529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).