2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine

C13H20N4 — CID 143308595

IUPAC2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(NC2CCNCC2)ccc1NC
InChIInChI=1S/C13H20N4/c1-15-13-3-2-12(8-10(13)9-14)17-11-4-6-16-7-5-11/h2-3,8-9,11,14-17H,4-7H2,1H3/b14-9+
InChIKeySHZDXDGXJCOQKI-NTEUORMPSA-N
MW232.33 g/mol
LogP1.89
Rot. Bonds4

About 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine

2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine (PubChem CID 143308595) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine
PubChem CID143308595
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine
SMILES[H]/N=C/c1cc(NC2CCNCC2)ccc1NC
InChIInChI=1S/C13H20N4/c1-15-13-3-2-12(8-10(13)9-14)17-11-4-6-16-7-5-11/h2-3,8-9,11,14-17H,4-7H2,1H3/b14-9+
InChIKeySHZDXDGXJCOQKI-NTEUORMPSA-N
XLogP1.89
TPSA59.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclohexyl-2-methanimidoylbenzene-1,4-diamine
CID 88581989
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 89025318
N-(azepan-4-yl)-1H-indol-5-amine
CID 113361399
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
CID 115043703
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
N-(3-butyl-4-methylphenyl)piperidin-4-amine
CID 69343774
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine (CID 143308595) is 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine is [H]/N=C/c1cc(NC2CCNCC2)ccc1NC.
What is the InChIKey of 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine?
The InChIKey is SHZDXDGXJCOQKI-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N4/c1-15-13-3-2-12(8-10(13)9-14)17-11-4-6-16-7-5-11/h2-3,8-9,11,14-17H,4-7H2,1H3/b14-9+.
What are the key properties of 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine?
2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 143308595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).