1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide

C10H20FN3 — CID 107162026

IUPAC1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCCF)CC1
InChIInChI=1S/C10H20FN3/c1-10(9(12)13)3-7-14(8-4-10)6-2-5-11/h2-8H2,1H3,(H3,12,13)
InChIKeyATKJFGLKXHILLK-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.38
Rot. Bonds4

About 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide

1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide (PubChem CID 107162026) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide
PubChem CID107162026
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCCF)CC1
InChIInChI=1S/C10H20FN3/c1-10(9(12)13)3-7-14(8-4-10)6-2-5-11/h2-8H2,1H3,(H3,12,13)
InChIKeyATKJFGLKXHILLK-UHFFFAOYSA-N
XLogP1.38
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 65258090
5-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 65258134
2,2-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258327
2,2-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65259308
2,2-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536459
2,2-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537420
2,2-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65537817
2,2-Dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentanimidamide
CID 65538201
2,2-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65539154
2,2-Dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-imine
CID 65545676
1-(2-Fluoroethyl)piperidine-4-carboximidamide
CID 80693915
1-(3-Fluoropropyl)piperidine-4-carboximidamide
CID 81106732

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide (CID 107162026) is 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is ATKJFGLKXHILLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3/c1-10(9(12)13)3-7-14(8-4-10)6-2-5-11/h2-8H2,1H3,(H3,12,13).
What are the key properties of 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide?
1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 201.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).