N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine

C18H22N4 — CID 2794234

IUPACN-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
SMILESCc1ccc(CN2CCN(N=Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-16-5-7-17(8-6-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-9-19-18/h2-9,14H,10-13,15H2,1H3
InChIKeyVVNOZFOFYVATOF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.54
Rot. Bonds4

About N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine

N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine (PubChem CID 2794234) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
PubChem CID2794234
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
SMILESCc1ccc(CN2CCN(N=Cc3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4/c1-16-5-7-17(8-6-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-9-19-18/h2-9,14H,10-13,15H2,1H3
InChIKeyVVNOZFOFYVATOF-UHFFFAOYSA-N
XLogP2.54
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
CID 44723897
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 1243236
(E,Z)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6880238
(E)-1-(4-ethoxy-3-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 6900531
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
CID 879215
(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine
CID 6896955
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
CID 53351898

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine (CID 2794234) is N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine is Cc1ccc(CN2CCN(N=Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine?
The InChIKey is VVNOZFOFYVATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-16-5-7-17(8-6-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-9-19-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine?
N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine has a molecular weight of 294.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 2794234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).