(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine

C21H23N3O — CID 7431512

IUPAC(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccco1
InChIInChI=1S/C21H23N3O/c1-17(21-10-5-15-25-21)22-24-13-11-23(12-14-24)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16H2,1H3/b22-17+
InChIKeyKQTCGRICYMNKIZ-OQKWZONESA-N
MW333.44 g/mol
LogP3.97
Rot. Bonds4

About (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine

(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine (PubChem CID 7431512) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
PubChem CID7431512
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccco1
InChIInChI=1S/C21H23N3O/c1-17(21-10-5-15-25-21)22-24-13-11-23(12-14-24)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16H2,1H3/b22-17+
InChIKeyKQTCGRICYMNKIZ-OQKWZONESA-N
XLogP3.97
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine (CID 7431512) is (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine is C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The InChIKey is KQTCGRICYMNKIZ-OQKWZONESA-N. The full InChI is InChI=1S/C21H23N3O/c1-17(21-10-5-15-25-21)22-24-13-11-23(12-14-24)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16H2,1H3/b22-17+.
What are the key properties of (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
(E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine has a molecular weight of 333.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine is sourced from PubChem (CID 7431512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).