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

C17H19Cl2N4- — CID 53347686

IUPACN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride
SMILESClc1ccccc1CN1CCN(N=Cc2ccncc2)CC1.[Cl-]
InChIInChI=1S/C17H19ClN4.ClH/c18-17-4-2-1-3-16(17)14-21-9-11-22(12-10-21)20-13-15-5-7-19-8-6-15;/h1-8,13H,9-12,14H2;1H/p-1
InChIKeyIHILYEFMFFLIOI-UHFFFAOYSA-M
MW350.27 g/mol
LogP-0.11
Rot. Bonds4

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

N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride (PubChem CID 53347686) has the molecular formula C17H19Cl2N4- and a molecular weight of 350.27 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride
PubChem CID53347686
Molecular FormulaC17H19Cl2N4-
Molecular Weight350.27 g/mol
Exact Mass349.10
IUPAC NameN-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride
SMILESClc1ccccc1CN1CCN(N=Cc2ccncc2)CC1.[Cl-]
InChIInChI=1S/C17H19ClN4.ClH/c18-17-4-2-1-3-16(17)14-21-9-11-22(12-10-21)20-13-15-5-7-19-8-6-15;/h1-8,13H,9-12,14H2;1H/p-1
InChIKeyIHILYEFMFFLIOI-UHFFFAOYSA-M
XLogP-0.11
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 5-0.11
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-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
(E)-1-(4-tert-butylphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 5342732
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 5405984
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 7387962
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 1110806
(E)-1-(5-bromothiophen-2-yl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 6886569
(E)-1-(2-chloro-6-fluorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine;hydrochloride
CID 45045654
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine;hydrochloride
CID 5343168
1-(3-bromo-4-methoxyphenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
CID 1125280
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine;hydrochloride
CID 6509368
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
(E,Z)-2-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6861821

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride (CID 53347686) is N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride is Clc1ccccc1CN1CCN(N=Cc2ccncc2)CC1.[Cl-].
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride?
The InChIKey is IHILYEFMFFLIOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19ClN4.ClH/c18-17-4-2-1-3-16(17)14-21-9-11-22(12-10-21)20-13-15-5-7-19-8-6-15;/h1-8,13H,9-12,14H2;1H/p-1.
What are the key properties of N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride?
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride has a molecular weight of 350.27 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride is sourced from PubChem (CID 53347686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).