2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine

C15H29F3N4 — CID 109475051

IUPAC2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCCCCN1CCCCC1)NCCC(F)(F)F
InChIInChI=1S/C15H29F3N4/c1-19-14(21-10-8-15(16,17)18)20-9-4-2-5-11-22-12-6-3-7-13-22/h2-13H2,1H3,(H2,19,20,21)
InChIKeyBBGGJPWEOIJAOE-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.76
Rot. Bonds8

About 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine

2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109475051) has the molecular formula C15H29F3N4 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109475051
Molecular FormulaC15H29F3N4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC Name2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCCCCN1CCCCC1)NCCC(F)(F)F
InChIInChI=1S/C15H29F3N4/c1-19-14(21-10-8-15(16,17)18)20-9-4-2-5-11-22-12-6-3-7-13-22/h2-13H2,1H3,(H2,19,20,21)
InChIKeyBBGGJPWEOIJAOE-UHFFFAOYSA-N
XLogP2.76
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(propan-2-yl)piperidine-1-carboximidamide
CID 14423432
4,4-difluoro-N'-methylpiperidine-1-carboximidamide
CID 89374623
N-[N'-(3,3-difluorohexyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176531045
1-piperidin-1-ium-1-ylidene-N,N'-di(propan-2-yl)methanediamine
CID 101490813
N-butyl-3-pentyl-2,4-dihydro-1H-1,3,5-triazin-6-amine
CID 162405389
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376110
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376111
N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376123
N-[7-(dimethylamino)heptyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376249
N-ethyl-N'-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376882
N-ethyl-N'-pentyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376883
N-[2-[cyclopentyl(methyl)amino]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine (CID 109475051) is 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(/NCCCCCN1CCCCC1)NCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is BBGGJPWEOIJAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N4/c1-19-14(21-10-8-15(16,17)18)20-9-4-2-5-11-22-12-6-3-7-13-22/h2-13H2,1H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine?
2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 322.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-piperidin-1-ylpentyl)-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109475051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).