(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol

C19H23NO2 — CID 118207526

IUPAC(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO2/c1-22-17-9-7-16(8-10-17)18-11-12-20(14-19(18)21)13-15-5-3-2-4-6-15/h2-10,18-19,21H,11-14H2,1H3/t18-,19+/m1/s1
InChIKeyBROWSDUVKNBAHK-MOPGFXCFSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds4

About (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol

(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol (PubChem CID 118207526) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
PubChem CID118207526
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)cc1
InChIInChI=1S/C19H23NO2/c1-22-17-9-7-16(8-10-17)18-11-12-20(14-19(18)21)13-15-5-3-2-4-6-15/h2-10,18-19,21H,11-14H2,1H3/t18-,19+/m1/s1
InChIKeyBROWSDUVKNBAHK-MOPGFXCFSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol
CID 3231134
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3R,4R)-1-benzyl-4-(4-methoxyphenoxy)pyrrolidin-3-ol
CID 13320244
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol (CID 118207526) is (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol is COc1ccc([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)cc1.
What is the InChIKey of (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol?
The InChIKey is BROWSDUVKNBAHK-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-17-9-7-16(8-10-17)18-11-12-20(14-19(18)21)13-15-5-3-2-4-6-15/h2-10,18-19,21H,11-14H2,1H3/t18-,19+/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol?
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 118207526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).