(3,4-dimethylpiperazin-1-yl)-phenylmethanimine

C13H19N3 — CID 63603767

IUPAC(3,4-dimethylpiperazin-1-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCN(C)C(C)C1
InChIInChI=1S/C13H19N3/c1-11-10-16(9-8-15(11)2)13(14)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/b14-13+
InChIKeyUXELLOPUKSJHSZ-BUHFOSPRSA-N
MW217.32 g/mol
LogP1.65
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-phenylmethanimine

(3,4-dimethylpiperazin-1-yl)-phenylmethanimine (PubChem CID 63603767) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-phenylmethanimine.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-phenylmethanimine
PubChem CID63603767
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3,4-dimethylpiperazin-1-yl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)N1CCN(C)C(C)C1
InChIInChI=1S/C13H19N3/c1-11-10-16(9-8-15(11)2)13(14)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/b14-13+
InChIKeyUXELLOPUKSJHSZ-BUHFOSPRSA-N
XLogP1.65
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

tert-butyl (2S)-4-(benzenecarboximidoyl)-2-methylpiperazine-1-carboxylate
CID 58852064
(2,4-dimethyl-1,4-diazepan-1-yl)-phenylmethanimine
CID 114087479
(2-ethylmorpholin-4-yl)-phenylmethanimine
CID 63175731
[4-(2-methylpropyl)piperazin-1-yl]-phenylmethanimine
CID 63172944
1-(3,4-dimethylpiperazin-1-yl)butan-1-imine
CID 63603592
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
[4-[2-(2,6-dimethylphenoxy)ethyl]piperazin-1-yl]-phenylmethanimine
CID 23468688
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
(2-methyl-3-phenyldiaziridin-1-yl)-phenylmethanimine
CID 163884975
3-(3,4-dimethylpiperazin-1-yl)-3-oxo-2-phenylpropanethioamide
CID 63619451
2-[2-(aminomethyl)phenyl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 81322397
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-phenylmethanimine?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-phenylmethanimine (CID 63603767) is (3,4-dimethylpiperazin-1-yl)-phenylmethanimine.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-phenylmethanimine?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-phenylmethanimine is [H]/N=C(\c1ccccc1)N1CCN(C)C(C)C1.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-phenylmethanimine?
The InChIKey is UXELLOPUKSJHSZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-10-16(9-8-15(11)2)13(14)12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3/b14-13+.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-phenylmethanimine?
(3,4-dimethylpiperazin-1-yl)-phenylmethanimine has a molecular weight of 217.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-phenylmethanimine is sourced from PubChem (CID 63603767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).