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

C22H29NO2 — CID 45213151

IUPAC[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccccc1CN1CCCC(CO)(Cc2ccccc2C)C1
InChIInChI=1S/C22H29NO2/c1-18-8-3-4-9-19(18)14-22(17-24)12-7-13-23(16-22)15-20-10-5-6-11-21(20)25-2/h3-6,8-11,24H,7,12-17H2,1-2H3
InChIKeyOBKUKJBALNTCQC-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.82
Rot. Bonds6

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

[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 45213151) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID45213151
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccccc1CN1CCCC(CO)(Cc2ccccc2C)C1
InChIInChI=1S/C22H29NO2/c1-18-8-3-4-9-19(18)14-22(17-24)12-7-13-23(16-22)15-20-10-5-6-11-21(20)25-2/h3-6,8-11,24H,7,12-17H2,1-2H3
InChIKeyOBKUKJBALNTCQC-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
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 28954788
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
1-[(2-methoxyphenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140979
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
[(3S)-3-(cyclopropylmethyl)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 97123129
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 97148098

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 45213151) is [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is COc1ccccc1CN1CCCC(CO)(Cc2ccccc2C)C1.
What is the InChIKey of [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is OBKUKJBALNTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-18-8-3-4-9-19(18)14-22(17-24)12-7-13-23(16-22)15-20-10-5-6-11-21(20)25-2/h3-6,8-11,24H,7,12-17H2,1-2H3.
What are the key properties of [1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
[1-[(2-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-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45213151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).