1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine

C25H27NO — CID 140569426

IUPAC1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
SMILESCOc1ccc(-c2ccc(C(c3ccccc3)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H27NO/c1-27-24-16-14-21(15-17-24)20-10-12-23(13-11-20)25(22-8-4-2-5-9-22)26-18-6-3-7-19-26/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3
InChIKeyLQYNGVMVHHBKIJ-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.94
Rot. Bonds5

About 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine

1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine (PubChem CID 140569426) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
PubChem CID140569426
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
SMILESCOc1ccc(-c2ccc(C(c3ccccc3)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H27NO/c1-27-24-16-14-21(15-17-24)20-10-12-23(13-11-20)25(22-8-4-2-5-9-22)26-18-6-3-7-19-26/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3
InChIKeyLQYNGVMVHHBKIJ-UHFFFAOYSA-N
XLogP5.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid
CID 3921814
1-[(4-methoxyphenyl)-(4-nitrophenyl)methyl]piperidine
CID 135002955
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
7-benzhydryl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 168958103

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine?
The IUPAC name of 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine (CID 140569426) is 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine is COc1ccc(-c2ccc(C(c3ccccc3)N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine?
The InChIKey is LQYNGVMVHHBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-27-24-16-14-21(15-17-24)20-10-12-23(13-11-20)25(22-8-4-2-5-9-22)26-18-6-3-7-19-26/h2,4-5,8-17,25H,3,6-7,18-19H2,1H3.
What are the key properties of 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine?
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine has a molecular weight of 357.50 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine is sourced from PubChem (CID 140569426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).