1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine

C24H38N6 — CID 109458520

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C24H38N6/c1-6-22-21(23(7-2)29(5)28-22)16-26-24(25-4)27-20-13-14-30(18(3)15-20)17-19-11-9-8-10-12-19/h8-12,18,20H,6-7,13-17H2,1-5H3,(H2,25,26,27)
InChIKeyUDSVIYZQEBHGIQ-UHFFFAOYSA-N
MW410.61 g/mol
LogP3.26
Rot. Bonds7

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine

1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine (PubChem CID 109458520) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
PubChem CID109458520
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine
SMILESCCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C24H38N6/c1-6-22-21(23(7-2)29(5)28-22)16-26-24(25-4)27-20-13-14-30(18(3)15-20)17-19-11-9-8-10-12-19/h8-12,18,20H,6-7,13-17H2,1-5H3,(H2,25,26,27)
InChIKeyUDSVIYZQEBHGIQ-UHFFFAOYSA-N
XLogP3.26
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109404990
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine;hydroiodide
CID 109459299
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(1-phenylpiperidin-3-yl)guanidine
CID 109406003
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 109401895
1-(1-benzyl-2-methylpiperidin-4-yl)-3-butyl-2-methylguanidine;hydroiodide
CID 109458327
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-2-methylguanidine
CID 109457250
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109457308
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-ethylpiperidin-2-yl)methyl]-2-methylguanidine
CID 109459306
1-(1-benzyl-2-methylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 109457334
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109458286
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylguanidine
CID 109458788
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 109458556

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine (CID 109458520) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine is CCc1nn(C)c(CC)c1CN/C(=N\C)NC1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine?
The InChIKey is UDSVIYZQEBHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-6-22-21(23(7-2)29(5)28-22)16-26-24(25-4)27-20-13-14-30(18(3)15-20)17-19-11-9-8-10-12-19/h8-12,18,20H,6-7,13-17H2,1-5H3,(H2,25,26,27).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine?
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine has a molecular weight of 410.61 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 109458520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).