4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine

C27H31NO2 — CID 1376263

IUPAC4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C27H31NO2/c1-29-26-13-12-25(19-27(26)30-21-24-10-6-3-7-11-24)20-28-16-14-23(15-17-28)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20-21H2,1H3
InChIKeyGLEUPKCYTMEQNJ-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.73
Rot. Bonds8

About 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine

4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine (PubChem CID 1376263) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
PubChem CID1376263
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C27H31NO2/c1-29-26-13-12-25(19-27(26)30-21-24-10-6-3-7-11-24)20-28-16-14-23(15-17-28)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20-21H2,1H3
InChIKeyGLEUPKCYTMEQNJ-UHFFFAOYSA-N
XLogP5.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine
CID 1375678
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine
CID 7026419
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
N-(2,4-dimethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 4222218
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine (CID 1376263) is 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1OCc1ccccc1.
What is the InChIKey of 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine?
The InChIKey is GLEUPKCYTMEQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-29-26-13-12-25(19-27(26)30-21-24-10-6-3-7-11-24)20-28-16-14-23(15-17-28)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20-21H2,1H3.
What are the key properties of 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine?
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine has a molecular weight of 401.55 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 1376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).