2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine

C19H27N5 — CID 119155049

IUPAC2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCc1cccn1C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5/c1-20-19(21-15-18-9-6-12-23(18)2)22-16-10-13-24(14-11-16)17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H2,20,21,22)
InChIKeyLVHWSXAAMXQQIL-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.36
Rot. Bonds4

About 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine

2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine (PubChem CID 119155049) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
PubChem CID119155049
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine
SMILESC/N=C(\NCc1cccn1C)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H27N5/c1-20-19(21-15-18-9-6-12-23(18)2)22-16-10-13-24(14-11-16)17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H2,20,21,22)
InChIKeyLVHWSXAAMXQQIL-UHFFFAOYSA-N
XLogP2.36
TPSA44.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140036
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-[1-(1-phenylethyl)pyrrolidin-3-yl]guanidine
CID 119155051
1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 111993567
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910000
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155209
2-methyl-1-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119155256
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909703
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910568
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
CID 111910545
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909699
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine?
The IUPAC name of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine (CID 119155049) is 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine is C/N=C(\NCc1cccn1C)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine?
The InChIKey is LVHWSXAAMXQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-20-19(21-15-18-9-6-12-23(18)2)22-16-10-13-24(14-11-16)17-7-4-3-5-8-17/h3-9,12,16H,10-11,13-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine?
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine has a molecular weight of 325.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine is sourced from PubChem (CID 119155049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).