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

C18H23ClN4 — CID 44723897

IUPAC(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
SMILESCc1ccc(CN2CCN(/N=C/c3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C18H22N4.ClH/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;1H/b20-14+;
InChIKeyUDAOUYPPYPBTHO-RANVTSCRSA-N
MW330.86 g/mol
LogP2.96
Rot. Bonds4

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

(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride (PubChem CID 44723897) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
PubChem CID44723897
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
SMILESCc1ccc(CN2CCN(/N=C/c3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C18H22N4.ClH/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;1H/b20-14+;
InChIKeyUDAOUYPPYPBTHO-RANVTSCRSA-N
XLogP2.96
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.96
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

N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
CID 2794234
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-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride?
The IUPAC name of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride (CID 44723897) is (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride.
What is the SMILES notation for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride?
The canonical SMILES for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride is Cc1ccc(CN2CCN(/N=C/c3ccccn3)CC2)cc1.Cl.
What is the InChIKey of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride?
The InChIKey is UDAOUYPPYPBTHO-RANVTSCRSA-N. The full InChI is InChI=1S/C18H22N4.ClH/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;1H/b20-14+;.
What are the key properties of (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride?
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride is sourced from PubChem (CID 44723897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).