1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol

C21H28N2O2 — CID 21300720

IUPAC1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol
SMILESCN(CCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H28N2O2/c1-22(19-7-9-20(24)10-8-19)14-11-21(25)12-15-23(16-13-21)17-18-5-3-2-4-6-18/h2-10,24-25H,11-17H2,1H3
InChIKeyHCXORUNHEOLNJL-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.25
Rot. Bonds6

About 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol

1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol (PubChem CID 21300720) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol
PubChem CID21300720
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol
SMILESCN(CCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H28N2O2/c1-22(19-7-9-20(24)10-8-19)14-11-21(25)12-15-23(16-13-21)17-18-5-3-2-4-6-18/h2-10,24-25H,11-17H2,1H3
InChIKeyHCXORUNHEOLNJL-UHFFFAOYSA-N
XLogP3.25
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[2-[4-(2-cyclopropylethoxy)-N-methylanilino]ethyl]piperidin-4-ol;dihydrochloride
CID 21300713
1-[(3-chlorophenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300675
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300710
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 21300668
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-(2-phenoxyethyl)piperidin-4-ol;dihydrochloride
CID 21300860
N-methyl-N-(2-phenylethyl)-4-(piperidin-1-ylmethyl)aniline;dihydrochloride
CID 67793853
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol (CID 21300720) is 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol is CN(CCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol?
The InChIKey is HCXORUNHEOLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22(19-7-9-20(24)10-8-19)14-11-21(25)12-15-23(16-13-21)17-18-5-3-2-4-6-18/h2-10,24-25H,11-17H2,1H3.
What are the key properties of 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol?
1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol has a molecular weight of 340.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol is sourced from PubChem (CID 21300720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).