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

C17H31F3N4 — CID 111993709

IUPAC1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H31F3N4/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)
InChIKeyGGZRDGDNTGELMW-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.15
Rot. Bonds5

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

1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 111993709) has the molecular formula C17H31F3N4 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID111993709
Molecular FormulaC17H31F3N4
Molecular Weight348.46 g/mol
Exact Mass348.25
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C17H31F3N4/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)
InChIKeyGGZRDGDNTGELMW-UHFFFAOYSA-N
XLogP3.15
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.15
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

5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine
CID 156519616
6-[2-(4-Fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 163589836
(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 167216857
N-(2,2-dicyclopropylethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376095
N'-ethyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376773
N'-methyl-N-(4-methylpentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377579
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377624
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377625
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378182
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378183
N-ethyl-N'-[[1-(2-methylpropyl)piperidin-3-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378314
N-ethyl-N'-[[1-(2-methylpropyl)piperidin-3-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 111993709) is 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCC(F)(F)F)NC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is GGZRDGDNTGELMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N4/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).
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 348.46 g/mol, XLogP of 3.15, 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 is sourced from PubChem (CID 111993709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).