(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine

C24H32INO — CID 170294080

IUPAC(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine
SMILESCc1cc(CN2CCCC[C@H]2C)c(OCc2cccc(I)c2)cc1C(C)C
InChIInChI=1S/C24H32INO/c1-17(2)23-14-24(27-16-20-9-7-10-22(25)13-20)21(12-18(23)3)15-26-11-6-5-8-19(26)4/h7,9-10,12-14,17,19H,5-6,8,11,15-16H2,1-4H3/t19-/m1/s1
InChIKeyJWRIXCWIAMPDKZ-LJQANCHMSA-N
MW477.43 g/mol
LogP6.68
Rot. Bonds6

About (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine

(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine (PubChem CID 170294080) has the molecular formula C24H32INO and a molecular weight of 477.43 g/mol. Its IUPAC name is (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine
PubChem CID170294080
Molecular FormulaC24H32INO
Molecular Weight477.43 g/mol
Exact Mass477.15
IUPAC Name(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine
SMILESCc1cc(CN2CCCC[C@H]2C)c(OCc2cccc(I)c2)cc1C(C)C
InChIInChI=1S/C24H32INO/c1-17(2)23-14-24(27-16-20-9-7-10-22(25)13-20)21(12-18(23)3)15-26-11-6-5-8-19(26)4/h7,9-10,12-14,17,19H,5-6,8,11,15-16H2,1-4H3/t19-/m1/s1
InChIKeyJWRIXCWIAMPDKZ-LJQANCHMSA-N
XLogP6.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylpiperidine
CID 176508041
(2R)-2-methyl-1-[[4-[[2-methyl-3-[2-methyl-3-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-methylsulfanylphenoxy]methyl]phenyl]phenyl]methoxy]-3-methylsulfanylphenyl]methyl]piperidine
CID 134313057
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
3-[[(2S)-2-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294022
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
3-[[5-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-2-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-(trifluoromethyl)phenoxy]methyl]pyridine
CID 170029760
(2S)-1-[[3-hydroxy-4-[[3-[3-[[2-hydroxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 134313127
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
1-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]ethanol
CID 82165998
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
2-(3-iodophenyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,3-benzoxazole
CID 99968142

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine?
The IUPAC name of (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine (CID 170294080) is (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine?
The canonical SMILES for (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine is Cc1cc(CN2CCCC[C@H]2C)c(OCc2cccc(I)c2)cc1C(C)C.
What is the InChIKey of (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine?
The InChIKey is JWRIXCWIAMPDKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32INO/c1-17(2)23-14-24(27-16-20-9-7-10-22(25)13-20)21(12-18(23)3)15-26-11-6-5-8-19(26)4/h7,9-10,12-14,17,19H,5-6,8,11,15-16H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine?
(2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine has a molecular weight of 477.43 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-[(3-iodophenyl)methoxy]-5-methyl-4-propan-2-ylphenyl]methyl]-2-methylpiperidine is sourced from PubChem (CID 170294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).