[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C27H31NO2 — CID 19979366

IUPAC[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cccc(C(C)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H31NO2/c1-21(22-10-9-15-26(20-22)30-2)28-18-16-25(17-19-28)27(29,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20-21,25,29H,16-19H2,1-2H3
InChIKeyVMZVPHHRIYLCCC-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.40
Rot. Bonds6

About [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 19979366) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID19979366
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCOc1cccc(C(C)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H31NO2/c1-21(22-10-9-15-26(20-22)30-2)28-18-16-25(17-19-28)27(29,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20-21,25,29H,16-19H2,1-2H3
InChIKeyVMZVPHHRIYLCCC-UHFFFAOYSA-N
XLogP5.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
CID 54669647
1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
CID 23383812
1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 96558685
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 120799990

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 19979366) is [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is COc1cccc(C(C)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is VMZVPHHRIYLCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-21(22-10-9-15-26(20-22)30-2)28-18-16-25(17-19-28)27(29,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,20-21,25,29H,16-19H2,1-2H3.
What are the key properties of [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 401.55 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 19979366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).