[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol

C18H27NO3 — CID 111976723

IUPAC[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1CC1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C18H27NO3/c1-21-17-5-3-2-4-16(17)10-15-6-8-19(9-7-15)11-18(12-20)13-22-14-18/h2-5,15,20H,6-14H2,1H3
InChIKeyPMUWRUWDHITGDZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.96
Rot. Bonds6

About [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 111976723) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID111976723
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCOc1ccccc1CC1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C18H27NO3/c1-21-17-5-3-2-4-16(17)10-15-6-8-19(9-7-15)11-18(12-20)13-22-14-18/h2-5,15,20H,6-14H2,1H3
InChIKeyPMUWRUWDHITGDZ-UHFFFAOYSA-N
XLogP1.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976536
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
[3-[[2-(2-methoxyphenyl)ethylamino]methyl]oxetan-3-yl]methanol
CID 115249100
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]methanol
CID 63971822
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-6-oxaspiro[2.5]octan-2-yl]methanone
CID 97220931
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 134813320

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol (CID 111976723) is [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol is COc1ccccc1CC1CCN(CC2(CO)COC2)CC1.
What is the InChIKey of [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is PMUWRUWDHITGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-21-17-5-3-2-4-16(17)10-15-6-8-19(9-7-15)11-18(12-20)13-22-14-18/h2-5,15,20H,6-14H2,1H3.
What are the key properties of [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).