2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine

C20H28N6 — CID 111049010

IUPAC2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCN1CCN(c2cc(C/N=C(\N)NCCc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H28N6/c1-25-11-13-26(14-12-25)19-15-18(8-9-22-19)16-24-20(21)23-10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16H2,1H3,(H3,21,23,24)
InChIKeyWBGCSSRXKOCSAC-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.48
Rot. Bonds6

About 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine

2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine (PubChem CID 111049010) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine
PubChem CID111049010
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine
SMILESCN1CCN(c2cc(C/N=C(\N)NCCc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H28N6/c1-25-11-13-26(14-12-25)19-15-18(8-9-22-19)16-24-20(21)23-10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16H2,1H3,(H3,21,23,24)
InChIKeyWBGCSSRXKOCSAC-UHFFFAOYSA-N
XLogP1.48
TPSA69.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.48
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

2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111049009
1-(2-phenylethyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041383
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111049029
1-hexyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049024
1-(3-ethoxypropyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049036
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111049026
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111049069
1-(3-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111048994
1-ethyl-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193968
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049072
2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-hexylguanidine
CID 111086967
1-(6-methylheptan-2-yl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111049027

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine (CID 111049010) is 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine is CN1CCN(c2cc(C/N=C(\N)NCCc3ccccc3)ccn2)CC1.
What is the InChIKey of 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine?
The InChIKey is WBGCSSRXKOCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-25-11-13-26(14-12-25)19-15-18(8-9-22-19)16-24-20(21)23-10-7-17-5-3-2-4-6-17/h2-6,8-9,15H,7,10-14,16H2,1H3,(H3,21,23,24).
What are the key properties of 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine?
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine has a molecular weight of 352.49 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111049010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).