2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine

C19H32N4 — CID 111900325

IUPAC2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(/NCc1cccc(C)c1)NCC(C)CN1CCCCC1
InChIInChI=1S/C19H32N4/c1-16-8-7-9-18(12-16)14-22-19(20-3)21-13-17(2)15-23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyAIRGSKOWCDKPFG-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.78
Rot. Bonds6

About 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine

2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111900325) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
PubChem CID111900325
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(/NCc1cccc(C)c1)NCC(C)CN1CCCCC1
InChIInChI=1S/C19H32N4/c1-16-8-7-9-18(12-16)14-22-19(20-3)21-13-17(2)15-23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyAIRGSKOWCDKPFG-UHFFFAOYSA-N
XLogP2.78
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.78
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

1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111876785
1-benzyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110954630
1-[(3-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111250538
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111854285
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-phenylethyl)guanidine
CID 111134003
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111877337
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111265892
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954341
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673923
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[(3-fluoro-4-methylphenyl)methyl]-2-methylguanidine
CID 111847307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine (CID 111900325) is 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine is C/N=C(/NCc1cccc(C)c1)NCC(C)CN1CCCCC1.
What is the InChIKey of 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is AIRGSKOWCDKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-16-8-7-9-18(12-16)14-22-19(20-3)21-13-17(2)15-23-10-5-4-6-11-23/h7-9,12,17H,4-6,10-11,13-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylphenyl)methyl]-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111900325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).