3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide

C18H30N6 — CID 111049058

IUPAC3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccnc(N3CCN(C)CC3)c2)C1
InChIInChI=1S/C18H30N6/c1-15-4-3-7-24(14-15)18(19)21-13-16-5-6-20-17(12-16)23-10-8-22(2)9-11-23/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H2,19,21)
InChIKeyHPNGLOBWTYYFGA-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.38
Rot. Bonds3

About 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide

3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide (PubChem CID 111049058) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
PubChem CID111049058
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccnc(N3CCN(C)CC3)c2)C1
InChIInChI=1S/C18H30N6/c1-15-4-3-7-24(14-15)18(19)21-13-16-5-6-20-17(12-16)23-10-8-22(2)9-11-23/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H2,19,21)
InChIKeyHPNGLOBWTYYFGA-UHFFFAOYSA-N
XLogP1.38
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.38
H-Bond Donors ≤ 51
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

3-methyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041232
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111049026
N'-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053335
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111041191
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111049072
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
1-(6-methylheptan-2-yl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111049027
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111061860
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111041259
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide (CID 111049058) is 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccnc(N3CCN(C)CC3)c2)C1.
What is the InChIKey of 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide?
The InChIKey is HPNGLOBWTYYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-15-4-3-7-24(14-15)18(19)21-13-16-5-6-20-17(12-16)23-10-8-22(2)9-11-23/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H2,19,21).
What are the key properties of 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide?
3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111049058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).