1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine

C24H32N2O — CID 7358343

IUPAC1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
SMILESCOc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C24H32N2O/c1-19-18-26(3)20(2)16-24(19,22-8-6-5-7-9-22)14-15-25-17-21-10-12-23(27-4)13-11-21/h5-13,17,19-20H,14-16,18H2,1-4H3/b25-17+/t19-,20+,24-/m1/s1
InChIKeyXQZVHESVZCKBJB-GAOQUDRGSA-N
MW364.53 g/mol
LogP4.80
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine

1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine (PubChem CID 7358343) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
PubChem CID7358343
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
SMILESCOc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C24H32N2O/c1-19-18-26(3)20(2)16-24(19,22-8-6-5-7-9-22)14-15-25-17-21-10-12-23(27-4)13-11-21/h5-13,17,19-20H,14-16,18H2,1-4H3/b25-17+/t19-,20+,24-/m1/s1
InChIKeyXQZVHESVZCKBJB-GAOQUDRGSA-N
XLogP4.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358347
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
2-[(2R,4S,5S)-4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 7198410
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 11899524
N-[(4-methoxyphenyl)methyl]-N-[2-[(2R,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]propanamide
CID 7358418
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethanamine
CID 3489229
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine
CID 7364115
1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine
CID 6542741
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)methanimine
CID 7678361
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
(2S,4S,5S)-N,N,1,2,5-pentamethyl-4-phenylpiperidin-4-amine
CID 915263

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine (CID 7358343) is 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine is COc1ccc(/C=N/CC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine?
The InChIKey is XQZVHESVZCKBJB-GAOQUDRGSA-N. The full InChI is InChI=1S/C24H32N2O/c1-19-18-26(3)20(2)16-24(19,22-8-6-5-7-9-22)14-15-25-17-21-10-12-23(27-4)13-11-21/h5-13,17,19-20H,14-16,18H2,1-4H3/b25-17+/t19-,20+,24-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine?
1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine has a molecular weight of 364.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine is sourced from PubChem (CID 7358343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).