1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C14H26F3IN4 — CID 111991796

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C14H25F3N4.HI/c1-2-18-13(19-8-7-14(15,16)17)20-11-5-9-21(10-6-11)12-3-4-12;/h11-12H,2-10H2,1H3,(H2,18,19,20);1H
InChIKeyOIGMHNMJEMYKKX-UHFFFAOYSA-N
MW434.29 g/mol
LogP2.74
Rot. Bonds5

About 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 111991796) has the molecular formula C14H26F3IN4 and a molecular weight of 434.29 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID111991796
Molecular FormulaC14H26F3IN4
Molecular Weight434.29 g/mol
Exact Mass434.12
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(C2CC2)CC1.I
InChIInChI=1S/C14H25F3N4.HI/c1-2-18-13(19-8-7-14(15,16)17)20-11-5-9-21(10-6-11)12-3-4-12;/h11-12H,2-10H2,1H3,(H2,18,19,20);1H
InChIKeyOIGMHNMJEMYKKX-UHFFFAOYSA-N
XLogP2.74
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 52.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 111991736
1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111993889
1-ethyl-3-(1-propylsulfonylpiperidin-4-yl)-2-(3,3,3-trifluoropropyl)guanidine
CID 111992271
1-ethyl-3-(4-phenylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111992588
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989894
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111998334
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111990604
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111990566
2-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-(1-cyclopropylpiperidin-4-yl)-3-ethylguanidine;hydroiodide
CID 111990772
1-cyclohexyl-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 110958506
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111984266

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 111991796) is 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is CCN/C(=N\CCC(F)(F)F)NC1CCN(C2CC2)CC1.I.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is OIGMHNMJEMYKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4.HI/c1-2-18-13(19-8-7-14(15,16)17)20-11-5-9-21(10-6-11)12-3-4-12;/h11-12H,2-10H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 434.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 111991796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).