1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

C18H34F3IN4 — CID 111993710

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I
InChIInChI=1S/C18H33F3N4.HI/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15;/h15-16H,2-14H2,1H3,(H2,22,23,24);1H
InChIKeyNVFSUQAFAKVFHG-UHFFFAOYSA-N
MW490.40 g/mol
LogP4.16
Rot. Bonds6

About 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 111993710) has the molecular formula C18H34F3IN4 and a molecular weight of 490.40 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID111993710
Molecular FormulaC18H34F3IN4
Molecular Weight490.40 g/mol
Exact Mass490.18
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I
InChIInChI=1S/C18H33F3N4.HI/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15;/h15-16H,2-14H2,1H3,(H2,22,23,24);1H
InChIKeyNVFSUQAFAKVFHG-UHFFFAOYSA-N
XLogP4.16
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 54.16
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'}

Analyze 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 111993710) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is CCN/C(=N\CCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is NVFSUQAFAKVFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N4.HI/c1-2-22-17(23-11-10-18(19,20)21)24-16-8-12-25(13-9-16)14-15-6-4-3-5-7-15;/h15-16H,2-14H2,1H3,(H2,22,23,24);1H.
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 490.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 111993710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).