N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C14H28FN3 — CID 109490928

IUPACN-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCF)C1
InChIInChI=1S/C14H28FN3/c1-4-7-14(2)8-5-11-18(12-14)13(16-3)17-10-6-9-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyFTAUSRGRWCILLD-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.82
Rot. Bonds5

About N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490928) has the molecular formula C14H28FN3 and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490928
Molecular FormulaC14H28FN3
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC NameN-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCCF)C1
InChIInChI=1S/C14H28FN3/c1-4-7-14(2)8-5-11-18(12-14)13(16-3)17-10-6-9-15/h4-12H2,1-3H3,(H,16,17)
InChIKeyFTAUSRGRWCILLD-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109469257
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine
CID 109470206
1-[(1-Ethylcyclobutyl)methyl]-3-(3-fluoropropyl)-2-methylguanidine
CID 109470780
N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 109490186
N-ethyl-3-methyl-3-propyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 109490187
N'-(2,2-difluoroethyl)-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490464
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490574
N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490708
3-(3-Fluoropropyl)-1,2-dimethyl-1-[(4-methylcyclohexyl)methyl]guanidine
CID 109515625
N-(3-fluoropropyl)-N'-methyl-2-azaspiro[5.6]dodecane-2-carboximidamide
CID 109555502
N-(2,2-difluoroethyl)-N'-methyl-2-azaspiro[5.6]dodecane-2-carboximidamide
CID 109555722
1-(2,2-Dimethylheptyl)-3-(3-fluoropropyl)-2-methylguanidine
CID 109582745

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490928) is N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCCF)C1.
What is the InChIKey of N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is FTAUSRGRWCILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN3/c1-4-7-14(2)8-5-11-18(12-14)13(16-3)17-10-6-9-15/h4-12H2,1-3H3,(H,16,17).
What are the key properties of N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 257.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).