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

C17H32F3IN4 — CID 111993708

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I
InChIInChI=1S/C17H31F3N4.HI/c1-21-16(22-10-9-17(18,19)20)23-15-7-11-24(12-8-15)13-14-5-3-2-4-6-14;/h14-15H,2-13H2,1H3,(H2,21,22,23);1H
InChIKeyCQBVKEZIVAKEGO-UHFFFAOYSA-N
MW476.37 g/mol
LogP3.77
Rot. Bonds5

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

1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (PubChem CID 111993708) has the molecular formula C17H32F3IN4 and a molecular weight of 476.37 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
PubChem CID111993708
Molecular FormulaC17H32F3IN4
Molecular Weight476.37 g/mol
Exact Mass476.16
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I
InChIInChI=1S/C17H31F3N4.HI/c1-21-16(22-10-9-17(18,19)20)23-15-7-11-24(12-8-15)13-14-5-3-2-4-6-14;/h14-15H,2-13H2,1H3,(H2,21,22,23);1H
InChIKeyCQBVKEZIVAKEGO-UHFFFAOYSA-N
XLogP3.77
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 53.77
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]-2-methyl-3-(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]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide (CID 111993708) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is C/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.I.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
The InChIKey is CQBVKEZIVAKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N4.HI/c1-21-16(22-10-9-17(18,19)20)23-15-7-11-24(12-8-15)13-14-5-3-2-4-6-14;/h14-15H,2-13H2,1H3,(H2,21,22,23);1H.
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide has a molecular weight of 476.37 g/mol, XLogP of 3.77, 5 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]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide is sourced from PubChem (CID 111993708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).