(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine

C17H20ClN3O — CID 70951099

IUPAC(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C17H20ClN3O/c1-2-19-21-11-9-20(10-12-21)13-14-7-8-17(22-14)15-5-3-4-6-16(15)18/h2-8H,9-13H2,1H3/b19-2-
InChIKeyTWIZGNONWIBFSY-UYKKPYKBSA-N
MW317.82 g/mol
LogP3.72
Rot. Bonds4

About (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine

(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine (PubChem CID 70951099) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
PubChem CID70951099
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine
SMILESC/C=N\N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C17H20ClN3O/c1-2-19-21-11-9-20(10-12-21)13-14-7-8-17(22-14)15-5-3-4-6-16(15)18/h2-8H,9-13H2,1H3/b19-2-
InChIKeyTWIZGNONWIBFSY-UYKKPYKBSA-N
XLogP3.72
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.72
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

2-[(2R)-4-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98575794
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1375701
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046247
1-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56741579
3-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 142697356
6-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942221
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
N-[(1S)-1-[7-[[5-(2-chlorophenyl)furan-2-yl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-methylpropanamide
CID 30868411
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
(3S,7R)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110211348
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334
(3S,7R,8aR)-2-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92604080

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine?
The IUPAC name of (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine (CID 70951099) is (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine.
What is the SMILES notation for (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine?
The canonical SMILES for (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine is C/C=N\N1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine?
The InChIKey is TWIZGNONWIBFSY-UYKKPYKBSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-19-21-11-9-20(10-12-21)13-14-7-8-17(22-14)15-5-3-4-6-16(15)18/h2-8H,9-13H2,1H3/b19-2-.
What are the key properties of (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine?
(Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine has a molecular weight of 317.82 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[[5-(2-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]ethanimine is sourced from PubChem (CID 70951099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).