N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine

C22H24N4 — CID 761617

IUPACN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
SMILESCC(=NN1CCN(Cc2cccc3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C22H24N4/c1-18(20-9-5-11-23-16-20)24-26-14-12-25(13-15-26)17-21-8-4-7-19-6-2-3-10-22(19)21/h2-11,16H,12-15,17H2,1H3
InChIKeyLNPOBRXJZYGQMS-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine

N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine (PubChem CID 761617) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
PubChem CID761617
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
SMILESCC(=NN1CCN(Cc2cccc3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C22H24N4/c1-18(20-9-5-11-23-16-20)24-26-14-12-25(13-15-26)17-21-8-4-7-19-6-2-3-10-22(19)21/h2-11,16H,12-15,17H2,1H3
InChIKeyLNPOBRXJZYGQMS-UHFFFAOYSA-N
XLogP3.78
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
CID 7430293
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
CID 44726035
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylethanimine
CID 5351068
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
(E)-3-(4-methyl-3-pyridinyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 167914731
[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 828762
4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135642166
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine?
The IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine (CID 761617) is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine.
What is the SMILES notation for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine?
The canonical SMILES for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine is CC(=NN1CCN(Cc2cccc3ccccc23)CC1)c1cccnc1.
What is the InChIKey of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine?
The InChIKey is LNPOBRXJZYGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-18(20-9-5-11-23-16-20)24-26-14-12-25(13-15-26)17-21-8-4-7-19-6-2-3-10-22(19)21/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine?
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine has a molecular weight of 344.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine is sourced from PubChem (CID 761617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).