1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine

C15H24N6O — CID 168604836

IUPAC1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine
SMILESCOc1cc(N2CCC(C)CC2)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H24N6O/c1-10-5-7-21(8-6-10)11-3-4-12(13(9-11)22-2)19-15(18)20-14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H6,16,17,18,19,20)
InChIKeyXPTKODQQPYFNLX-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.15
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine (PubChem CID 168604836) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine
PubChem CID168604836
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine
SMILESCOc1cc(N2CCC(C)CC2)ccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H24N6O/c1-10-5-7-21(8-6-10)11-3-4-12(13(9-11)22-2)19-15(18)20-14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H6,16,17,18,19,20)
InChIKeyXPTKODQQPYFNLX-UHFFFAOYSA-N
XLogP1.15
TPSA115.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
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

methyl 3-[[amino-(diaminomethylideneamino)methylidene]amino]-4-(4-methylpiperidin-1-yl)benzoate
CID 168603550
3-[[amino-(diaminomethylideneamino)methylidene]amino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 168601780
1-(diaminomethylidene)-2-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]guanidine
CID 168603102
2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340815
2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine
CID 142742923
2-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidine-1-carbonyl]phenyl]guanidine;hydrochloride
CID 142742922
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
CID 166463434
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
CID 88972457
2-[(3,4-dimethoxyphenyl)methyl]-1-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111805911

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine (CID 168604836) is 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine is COc1cc(N2CCC(C)CC2)ccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine?
The InChIKey is XPTKODQQPYFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-10-5-7-21(8-6-10)11-3-4-12(13(9-11)22-2)19-15(18)20-14(16)17/h3-4,9-10H,5-8H2,1-2H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine has a molecular weight of 304.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]guanidine is sourced from PubChem (CID 168604836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).