1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol

C19H25N3O — CID 111476604

IUPAC1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
SMILESCc1ccc(C(O)CNC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-15-5-7-16(8-6-15)18(23)14-21-17-9-12-22(13-10-17)19-4-2-3-11-20-19/h2-8,11,17-18,21,23H,9-10,12-14H2,1H3
InChIKeyCJKMLBIJOBJFRB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol

1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol (PubChem CID 111476604) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
PubChem CID111476604
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
SMILESCc1ccc(C(O)CNC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C19H25N3O/c1-15-5-7-16(8-6-15)18(23)14-21-17-9-12-22(13-10-17)19-4-2-3-11-20-19/h2-8,11,17-18,21,23H,9-10,12-14H2,1H3
InChIKeyCJKMLBIJOBJFRB-UHFFFAOYSA-N
XLogP2.68
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
CID 110897961
1,1-difluoro-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103787981
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
N-[(2R)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323063
N-[(2S)-2-(4-fluorophenoxy)propyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323062
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol (CID 111476604) is 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol is Cc1ccc(C(O)CNC2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The InChIKey is CJKMLBIJOBJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-5-7-16(8-6-15)18(23)14-21-17-9-12-22(13-10-17)19-4-2-3-11-20-19/h2-8,11,17-18,21,23H,9-10,12-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol has a molecular weight of 311.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 111476604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).