[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol

C29H35NO3 — CID 54669647

IUPAC[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cccc(OCC(C)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C29H35NO3/c1-23(22-33-28-15-9-14-27(20-28)32-2)21-30-18-16-26(17-19-30)29(31,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-15,20,23,26,31H,16-19,21-22H2,1-2H3
InChIKeyBIZKKKDFUXKZFO-UHFFFAOYSA-N
MW445.60 g/mol
LogP5.36
Rot. Bonds9

About [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol

[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 54669647) has the molecular formula C29H35NO3 and a molecular weight of 445.60 g/mol. Its IUPAC name is [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
PubChem CID54669647
Molecular FormulaC29H35NO3
Molecular Weight445.60 g/mol
Exact Mass445.26
IUPAC Name[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cccc(OCC(C)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C29H35NO3/c1-23(22-33-28-15-9-14-27(20-28)32-2)21-30-18-16-26(17-19-30)29(31,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-15,20,23,26,31H,16-19,21-22H2,1-2H3
InChIKeyBIZKKKDFUXKZFO-UHFFFAOYSA-N
XLogP5.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-hydroxy-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzonitrile
CID 53464112
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 53464119
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate
CID 51049667
diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
CID 163328691
1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3,7,11-trimethyldodecane-2,3-diol
CID 139677212
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol (CID 54669647) is [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol is COc1cccc(OCC(C)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is BIZKKKDFUXKZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3/c1-23(22-33-28-15-9-14-27(20-28)32-2)21-30-18-16-26(17-19-30)29(31,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-15,20,23,26,31H,16-19,21-22H2,1-2H3.
What are the key properties of [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol?
[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 445.60 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 54669647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).