N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride

C17H21ClN4 — CID 2868959

IUPACN-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESC(=NN1CCN(Cc2ccccc2)CC1)c1ccncc1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-2-4-17(5-3-1)15-20-10-12-21(13-11-20)19-14-16-6-8-18-9-7-16;/h1-9,14H,10-13,15H2;1H
InChIKeyAXETXNKZACTHAI-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.66
Rot. Bonds4

About N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride

N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride (PubChem CID 2868959) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
PubChem CID2868959
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESC(=NN1CCN(Cc2ccccc2)CC1)c1ccncc1.Cl
InChIInChI=1S/C17H20N4.ClH/c1-2-4-17(5-3-1)15-20-10-12-21(13-11-20)19-14-16-6-8-18-9-7-16;/h1-9,14H,10-13,15H2;1H
InChIKeyAXETXNKZACTHAI-UHFFFAOYSA-N
XLogP2.66
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.66
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-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-pyridin-4-ylmethanimine chloride
CID 53347686
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
CID 7387954
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
CID 1110798
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342860
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine;hydrochloride
CID 45046994
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride (CID 2868959) is N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride is C(=NN1CCN(Cc2ccccc2)CC1)c1ccncc1.Cl.
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride?
The InChIKey is AXETXNKZACTHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4.ClH/c1-2-4-17(5-3-1)15-20-10-12-21(13-11-20)19-14-16-6-8-18-9-7-16;/h1-9,14H,10-13,15H2;1H.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride?
N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride has a molecular weight of 316.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride is sourced from PubChem (CID 2868959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).