1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine

C20H23N3 — CID 58853501

IUPAC1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccc(CN2CCCCC2)cc1)\c1ccccc1
InChIInChI=1S/C20H23N3/c21-19(17-7-3-1-4-8-17)20(22)18-11-9-16(10-12-18)15-23-13-5-2-6-14-23/h1,3-4,7-12,21-22H,2,5-6,13-15H2/b21-19+,22-20+
InChIKeyFSLDKLWEEQVTGI-FLFKKZLDSA-N
MW305.43 g/mol
LogP4.11
Rot. Bonds5

About 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine

1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine (PubChem CID 58853501) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine.

Molecular Properties

Compound Name1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine
PubChem CID58853501
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccc(CN2CCCCC2)cc1)\c1ccccc1
InChIInChI=1S/C20H23N3/c21-19(17-7-3-1-4-8-17)20(22)18-11-9-16(10-12-18)15-23-13-5-2-6-14-23/h1,3-4,7-12,21-22H,2,5-6,13-15H2/b21-19+,22-20+
InChIKeyFSLDKLWEEQVTGI-FLFKKZLDSA-N
XLogP4.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzylazepane
CID 10954328
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
N-[4-[C-[4-(benzhydrylideneamino)phenyl]-N-[4-[[4,8,11-tris[[4-[bis[4-(benzhydrylideneamino)phenyl]methylideneamino]phenyl]methyl]-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]phenyl]carbonimidoyl]phenyl]-1,1-diphenylmethanimine
CID 101258821
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264
1-benzylpyrrolidine;propane
CID 143692089
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
4-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24698734
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228
triphenyl-[[4-(piperidin-1-ylmethyl)phenyl]methyl]phosphanium bromide
CID 22990018
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine?
The IUPAC name of 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine (CID 58853501) is 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine.
What is the SMILES notation for 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine?
The canonical SMILES for 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine is [H]/N=C(C(=N/[H])/c1ccc(CN2CCCCC2)cc1)\c1ccccc1.
What is the InChIKey of 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine?
The InChIKey is FSLDKLWEEQVTGI-FLFKKZLDSA-N. The full InChI is InChI=1S/C20H23N3/c21-19(17-7-3-1-4-8-17)20(22)18-11-9-16(10-12-18)15-23-13-5-2-6-14-23/h1,3-4,7-12,21-22H,2,5-6,13-15H2/b21-19+,22-20+.
What are the key properties of 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine?
1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine has a molecular weight of 305.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine is sourced from PubChem (CID 58853501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).