1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine

C12H17ClN4 — CID 167064932

IUPAC1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine
SMILESC/N=C/c1ncc(N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C12H17ClN4/c1-14-9-12-11(13)7-10(8-15-12)17-5-3-16(2)4-6-17/h7-9H,3-6H2,1-2H3/b14-9+
InChIKeyGULGITPBHGVIOA-NTEUORMPSA-N
MW252.75 g/mol
LogP1.54
Rot. Bonds2

About 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine

1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine (PubChem CID 167064932) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine
PubChem CID167064932
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine
SMILESC/N=C/c1ncc(N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C12H17ClN4/c1-14-9-12-11(13)7-10(8-15-12)17-5-3-16(2)4-6-17/h7-9H,3-6H2,1-2H3/b14-9+
InChIKeyGULGITPBHGVIOA-NTEUORMPSA-N
XLogP1.54
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
2-(4-chlorobutyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114394284
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
1-[5-bromo-6-(1-methoxyethyl)-3-pyridinyl]-4-methylpiperazine
CID 171329350
1-(5-chloro-3-methoxy-2-pyridinyl)-4-methylpiperazine
CID 138561291
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
7-(4-methylpiperazin-1-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 11153246
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 102750107
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine?
The IUPAC name of 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine (CID 167064932) is 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine.
What is the SMILES notation for 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine?
The canonical SMILES for 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine is C/N=C/c1ncc(N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine?
The InChIKey is GULGITPBHGVIOA-NTEUORMPSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-14-9-12-11(13)7-10(8-15-12)17-5-3-16(2)4-6-17/h7-9H,3-6H2,1-2H3/b14-9+.
What are the key properties of 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine?
1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine has a molecular weight of 252.75 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanimine is sourced from PubChem (CID 167064932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).