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

C22H29NO2 — CID 45196442

IUPAC[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CN2CCCC(CO)(Cc3ccccc3C)C2)c1
InChIInChI=1S/C22H29NO2/c1-18-7-3-4-9-20(18)14-22(17-24)11-6-12-23(16-22)15-19-8-5-10-21(13-19)25-2/h3-5,7-10,13,24H,6,11-12,14-17H2,1-2H3
InChIKeyJNFVETBZQSKZGV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.82
Rot. Bonds6

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

[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45196442) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID45196442
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1cccc(CN2CCCC(CO)(Cc3ccccc3C)C2)c1
InChIInChI=1S/C22H29NO2/c1-18-7-3-4-9-20(18)14-22(17-24)11-6-12-23(16-22)15-19-8-5-10-21(13-19)25-2/h3-5,7-10,13,24H,6,11-12,14-17H2,1-2H3
InChIKeyJNFVETBZQSKZGV-UHFFFAOYSA-N
XLogP3.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 28954788
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 25278692
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
2-[[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 45184745
3-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 45196442) is [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is COc1cccc(CN2CCCC(CO)(Cc3ccccc3C)C2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is JNFVETBZQSKZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-18-7-3-4-9-20(18)14-22(17-24)11-6-12-23(16-22)15-19-8-5-10-21(13-19)25-2/h3-5,7-10,13,24H,6,11-12,14-17H2,1-2H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 339.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45196442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).