N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide

C15H30FN3 — CID 109490708

IUPACN-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCCF)NCC)C1
InChIInChI=1S/C15H30FN3/c1-4-8-15(3)9-6-12-19(13-15)14(17-5-2)18-11-7-10-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyQMHVGMXRKCEZAJ-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.21
Rot. Bonds6

About N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide

N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490708) has the molecular formula C15H30FN3 and a molecular weight of 271.42 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490708
Molecular FormulaC15H30FN3
Molecular Weight271.42 g/mol
Exact Mass271.24
IUPAC NameN-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCCF)NCC)C1
InChIInChI=1S/C15H30FN3/c1-4-8-15(3)9-6-12-19(13-15)14(17-5-2)18-11-7-10-16/h4-13H2,1-3H3,(H,17,18)
InChIKeyQMHVGMXRKCEZAJ-UHFFFAOYSA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.21
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-(3-fluoropropyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490928
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-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide (CID 109490708) is N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CCCF)NCC)C1.
What is the InChIKey of N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is QMHVGMXRKCEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN3/c1-4-8-15(3)9-6-12-19(13-15)14(17-5-2)18-11-7-10-16/h4-13H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide?
N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 271.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluoropropyl)-3-methyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).