1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol

C21H28N2O2 — CID 141444113

IUPAC1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
SMILESCN(C)CC1CN(Cc2ccccc2)CCC1(O)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-22(2)15-19-16-23(14-17-7-4-3-5-8-17)12-11-21(19,25)18-9-6-10-20(24)13-18/h3-10,13,19,24-25H,11-12,14-16H2,1-2H3
InChIKeyGNTNYZQLJKDSJS-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol

1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol (PubChem CID 141444113) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
PubChem CID141444113
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol
SMILESCN(C)CC1CN(Cc2ccccc2)CCC1(O)c1cccc(O)c1
InChIInChI=1S/C21H28N2O2/c1-22(2)15-19-16-23(14-17-7-4-3-5-8-17)12-11-21(19,25)18-9-6-10-20(24)13-18/h3-10,13,19,24-25H,11-12,14-16H2,1-2H3
InChIKeyGNTNYZQLJKDSJS-UHFFFAOYSA-N
XLogP2.66
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)-1-(1-phenylbutyl)piperidin-4-ol
CID 141444117
2-(3-chlorophenyl)-1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)piperidin-1-yl]ethanone
CID 171344405
3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]benzonitrile
CID 146223858
3-[(1R,2S,4S)-2-[(dimethylamino)methyl]-1-hydroxy-4-phenylmethoxycyclohexyl]phenol
CID 124603005
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
(3R,4S)-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)oxan-4-ol
CID 15050165
1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-hydroxyphenyl)piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
CID 171355912
(3S,4R)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxylic acid
CID 175115772
3-[3-[(dimethylamino)methyl]-4-hydroxy-1-(2-thiophen-3-ylethyl)piperidin-4-yl]benzamide;hydrochloride
CID 135240428
3-[(1R,2R,5R)-2-[(dimethylamino)methyl]-1-hydroxy-5-methylcyclohexyl]phenol
CID 150361080
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol (CID 141444113) is 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol is CN(C)CC1CN(Cc2ccccc2)CCC1(O)c1cccc(O)c1.
What is the InChIKey of 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol?
The InChIKey is GNTNYZQLJKDSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22(2)15-19-16-23(14-17-7-4-3-5-8-17)12-11-21(19,25)18-9-6-10-20(24)13-18/h3-10,13,19,24-25H,11-12,14-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol?
1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol has a molecular weight of 340.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(dimethylamino)methyl]-4-(3-hydroxyphenyl)piperidin-4-ol is sourced from PubChem (CID 141444113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).