[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol

C33H35NO3 — CID 3435769

IUPAC[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C33H35NO3/c1-36-32-23-27(17-18-31(32)37-25-26-11-5-2-6-12-26)24-34-21-19-30(20-22-34)33(35,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,30,35H,19-22,24-25H2,1H3
InChIKeyDNONLYOYSNANMV-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.42
Rot. Bonds9

About [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol

[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 3435769) has the molecular formula C33H35NO3 and a molecular weight of 493.65 g/mol. Its IUPAC name is [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
PubChem CID3435769
Molecular FormulaC33H35NO3
Molecular Weight493.65 g/mol
Exact Mass493.26
IUPAC Name[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C33H35NO3/c1-36-32-23-27(17-18-31(32)37-25-26-11-5-2-6-12-26)24-34-21-19-30(20-22-34)33(35,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,30,35H,19-22,24-25H2,1H3
InChIKeyDNONLYOYSNANMV-UHFFFAOYSA-N
XLogP6.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbohydrazide
CID 54848264
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
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
CID 163328691
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine
CID 2912108
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol (CID 3435769) is [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol is COc1cc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)ccc1OCc1ccccc1.
What is the InChIKey of [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is DNONLYOYSNANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO3/c1-36-32-23-27(17-18-31(32)37-25-26-11-5-2-6-12-26)24-34-21-19-30(20-22-34)33(35,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,30,35H,19-22,24-25H2,1H3.
What are the key properties of [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol?
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 493.65 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 3435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).