2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine

C14H20N6O — CID 168591843

IUPAC2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
SMILESCN1CCN(C(=O)c2ccc(C=NN=C(N)N)cc2)CC1
InChIInChI=1S/C14H20N6O/c1-19-6-8-20(9-7-19)13(21)12-4-2-11(3-5-12)10-17-18-14(15)16/h2-5,10H,6-9H2,1H3,(H4,15,16,18)
InChIKeyOKIOFVDZVDVAPP-UHFFFAOYSA-N
MW288.36 g/mol
LogP-0.32
Rot. Bonds3

About 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine

2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine (PubChem CID 168591843) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
PubChem CID168591843
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
SMILESCN1CCN(C(=O)c2ccc(C=NN=C(N)N)cc2)CC1
InChIInChI=1S/C14H20N6O/c1-19-6-8-20(9-7-19)13(21)12-4-2-11(3-5-12)10-17-18-14(15)16/h2-5,10H,6-9H2,1H3,(H4,15,16,18)
InChIKeyOKIOFVDZVDVAPP-UHFFFAOYSA-N
XLogP-0.32
TPSA100.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 5-0.32
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
(4-methylpiperazin-1-yl)-(4-prop-1-ynylphenyl)methanone
CID 123516187
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
ethane;(4-methylpiperazin-1-yl)-(4-prop-1-ynylphenyl)methanone
CID 142080294
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine (CID 168591843) is 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine is CN1CCN(C(=O)c2ccc(C=NN=C(N)N)cc2)CC1.
What is the InChIKey of 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine?
The InChIKey is OKIOFVDZVDVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-6-8-20(9-7-19)13(21)12-4-2-11(3-5-12)10-17-18-14(15)16/h2-5,10H,6-9H2,1H3,(H4,15,16,18).
What are the key properties of 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine?
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine has a molecular weight of 288.36 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).