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

C16H24N2O — CID 6542741

IUPAC1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine
SMILESCOc1ccc(/C=N/[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O/c1-12-11-18(3)13(2)9-16(12)17-10-14-5-7-15(19-4)8-6-14/h5-8,10,12-13,16H,9,11H2,1-4H3/b17-10+/t12-,13+,16+/m0/s1
InChIKeyCZTMDZPKDBTDSQ-AAJZHJOBSA-N
MW260.38 g/mol
LogP2.84
Rot. Bonds3

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

1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine (PubChem CID 6542741) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine
PubChem CID6542741
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine
SMILESCOc1ccc(/C=N/[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O/c1-12-11-18(3)13(2)9-16(12)17-10-14-5-7-15(19-4)8-6-14/h5-8,10,12-13,16H,9,11H2,1-4H3/b17-10+/t12-,13+,16+/m0/s1
InChIKeyCZTMDZPKDBTDSQ-AAJZHJOBSA-N
XLogP2.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.84
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-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11348682
[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl] 4-methoxybenzoate
CID 6545649
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
CID 7358544
N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine
CID 11098201
1-(4-methoxyphenyl)-N-[2-[(2S,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358343
1-(4-methoxyphenyl)-N-[2-[(2S,4S,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl]ethyl]methanimine
CID 7358347
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(E)-3-(4-methoxyphenyl)-1-[(2R,5R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 1009678

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine (CID 6542741) is 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine is COc1ccc(/C=N/[C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine?
The InChIKey is CZTMDZPKDBTDSQ-AAJZHJOBSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-18(3)13(2)9-16(12)17-10-14-5-7-15(19-4)8-6-14/h5-8,10,12-13,16H,9,11H2,1-4H3/b17-10+/t12-,13+,16+/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine?
1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine has a molecular weight of 260.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine is sourced from PubChem (CID 6542741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).