(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine

C23H24ClN3 — CID 6082743

IUPAC(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
SMILESC/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24ClN3/c1-18(21-9-8-20-4-2-3-5-22(20)16-21)25-27-14-12-26(13-15-27)17-19-6-10-23(24)11-7-19/h2-11,16H,12-15,17H2,1H3/b25-18-
InChIKeySPHNQPCBXMOEGX-BWAHOGKJSA-N
MW377.92 g/mol
LogP5.03
Rot. Bonds4

About (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine (PubChem CID 6082743) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
PubChem CID6082743
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
SMILESC/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24ClN3/c1-18(21-9-8-20-4-2-3-5-22(20)16-21)25-27-14-12-26(13-15-27)17-19-6-10-23(24)11-7-19/h2-11,16H,12-15,17H2,1H3/b25-18-
InChIKeySPHNQPCBXMOEGX-BWAHOGKJSA-N
XLogP5.03
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-naphthalen-2-ylethanimine
CID 7422706
(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
CID 7430293
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
1-(3-bromophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanimine
CID 5060114
4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135642166
1-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]naphthalen-2-ol
CID 135519235
(4-chlorophenyl)-[3-hydroxy-4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 68511077
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
CID 761617
(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
CID 44726035
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine?
The IUPAC name of (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine (CID 6082743) is (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine.
What is the SMILES notation for (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine?
The canonical SMILES for (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine is C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine?
The InChIKey is SPHNQPCBXMOEGX-BWAHOGKJSA-N. The full InChI is InChI=1S/C23H24ClN3/c1-18(21-9-8-20-4-2-3-5-22(20)16-21)25-27-14-12-26(13-15-27)17-19-6-10-23(24)11-7-19/h2-11,16H,12-15,17H2,1H3/b25-18-.
What are the key properties of (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine?
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine has a molecular weight of 377.92 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine is sourced from PubChem (CID 6082743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).