N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine

C36H52N6 — CID 170562428

IUPACN-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine
SMILESc1ccc([C@H](N=C(N2CCCCC2)N2CCCCC2)[C@@H](N=C(N2CCCCC2)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C36H52N6/c1-7-19-31(20-8-1)33(37-35(39-23-11-3-12-24-39)40-25-13-4-14-26-40)34(32-21-9-2-10-22-32)38-36(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-2,7-10,19-22,33-34H,3-6,11-18,23-30H2/t33-,34-/m0/s1
InChIKeyXLVPJISHMZPCCG-HEVIKAOCSA-N
MW568.85 g/mol
LogP7.12
Rot. Bonds5

About N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine

N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine (PubChem CID 170562428) has the molecular formula C36H52N6 and a molecular weight of 568.85 g/mol. Its IUPAC name is N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine.

Molecular Properties

Compound NameN-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine
PubChem CID170562428
Molecular FormulaC36H52N6
Molecular Weight568.85 g/mol
Exact Mass568.43
IUPAC NameN-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine
SMILESc1ccc([C@H](N=C(N2CCCCC2)N2CCCCC2)[C@@H](N=C(N2CCCCC2)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C36H52N6/c1-7-19-31(20-8-1)33(37-35(39-23-11-3-12-24-39)40-25-13-4-14-26-40)34(32-21-9-2-10-22-32)38-36(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-2,7-10,19-22,33-34H,3-6,11-18,23-30H2/t33-,34-/m0/s1
InChIKeyXLVPJISHMZPCCG-HEVIKAOCSA-N
XLogP7.12
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.85
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one
CID 135013839
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
3-oxo-2-phenyl-3-piperidin-1-ylpropanal
CID 171369955
2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 59851564
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine?
The IUPAC name of N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine (CID 170562428) is N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine.
What is the SMILES notation for N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine?
The canonical SMILES for N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine is c1ccc([C@H](N=C(N2CCCCC2)N2CCCCC2)[C@@H](N=C(N2CCCCC2)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine?
The InChIKey is XLVPJISHMZPCCG-HEVIKAOCSA-N. The full InChI is InChI=1S/C36H52N6/c1-7-19-31(20-8-1)33(37-35(39-23-11-3-12-24-39)40-25-13-4-14-26-40)34(32-21-9-2-10-22-32)38-36(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-2,7-10,19-22,33-34H,3-6,11-18,23-30H2/t33-,34-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine?
N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine has a molecular weight of 568.85 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine is sourced from PubChem (CID 170562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).