4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine

C32H33NO — CID 122651457

IUPAC4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine
SMILESCc1cccc(-c2ccc(C3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)cc2)c1C
InChIInChI=1S/C32H33NO/c1-24-8-6-13-32(25(24)2)29-16-14-27(15-17-29)28-18-20-33(21-19-28)23-26-9-7-12-31(22-26)34-30-10-4-3-5-11-30/h3-17,22,28H,18-21,23H2,1-2H3
InChIKeyZILYGUKSUYYQES-UHFFFAOYSA-N
MW447.62 g/mol
LogP8.14
Rot. Bonds6

About 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine

4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine (PubChem CID 122651457) has the molecular formula C32H33NO and a molecular weight of 447.62 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine
PubChem CID122651457
Molecular FormulaC32H33NO
Molecular Weight447.62 g/mol
Exact Mass447.26
IUPAC Name4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine
SMILESCc1cccc(-c2ccc(C3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)cc2)c1C
InChIInChI=1S/C32H33NO/c1-24-8-6-13-32(25(24)2)29-16-14-27(15-17-29)28-18-20-33(21-19-28)23-26-9-7-12-31(22-26)34-30-10-4-3-5-11-30/h3-17,22,28H,18-21,23H2,1-2H3
InChIKeyZILYGUKSUYYQES-UHFFFAOYSA-N
XLogP8.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(2,3-dimethylphenyl)phenyl]piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122651228
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
4-[4-(2,3-dimethylphenyl)phenyl]-1-(2-methylphenyl)sulfanylpiperidine
CID 145176816
1-(2,3-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazine;oxalic acid
CID 163327642
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine (CID 122651457) is 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine is Cc1cccc(-c2ccc(C3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)cc2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine?
The InChIKey is ZILYGUKSUYYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO/c1-24-8-6-13-32(25(24)2)29-16-14-27(15-17-29)28-18-20-33(21-19-28)23-26-9-7-12-31(22-26)34-30-10-4-3-5-11-30/h3-17,22,28H,18-21,23H2,1-2H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine?
4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine has a molecular weight of 447.62 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)phenyl]-1-[(3-phenoxyphenyl)methyl]piperidine is sourced from PubChem (CID 122651457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).