3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol

C19H24N2O2 — CID 91038592

IUPAC3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
SMILESOc1cccc(C(O)CNC2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O2/c22-18-8-4-5-15(13-18)19(23)14-20-16-9-11-21(12-10-16)17-6-2-1-3-7-17/h1-8,13,16,19-20,22-23H,9-12,14H2
InChIKeyNNPZCTCWBXTKEG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.68
Rot. Bonds5

About 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol

3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol (PubChem CID 91038592) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
PubChem CID91038592
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol
SMILESOc1cccc(C(O)CNC2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O2/c22-18-8-4-5-15(13-18)19(23)14-20-16-9-11-21(12-10-16)17-6-2-1-3-7-17/h1-8,13,16,19-20,22-23H,9-12,14H2
InChIKeyNNPZCTCWBXTKEG-UHFFFAOYSA-N
XLogP2.68
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US10934303, Example 30
CID 137628682
(R,S/S,R)-syn-3-amino-1-(4-methoxyphenyl)-1-(methyl(phenyl)amino)propan-2-ol
CID 24897264
(R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24897689
3-[[2-Hydroxy-2-(4-phenylphenyl)ethyl]amino]phenol
CID 155758991
3-[[3-(N-benzylanilino)propylamino]methyl]phenol
CID 44531805
3-[3-(4-Phenylpiperazin-1-yl)propyl]phenol;hydrochloride
CID 90656709
3-[4-(4-Phenylpiperazin-1-yl)butyl]phenol
CID 90656710
2-(Piperidin-1-ylmethyl)-5-[3-[4-(propan-2-ylamino)phenyl]propyl]phenol
CID 122185204
[3-(2-anilino-1-hydroxyethyl)phenyl] N,N-dimethylcarbamate;hydrochloride
CID 156019983
3-[1-(3-Hydroxyphenyl)-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]phenol
CID 166635312
4-[4-(2-Hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 4319882
US10934303, Example 49
CID 138493092

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol (CID 91038592) is 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol is Oc1cccc(C(O)CNC2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol?
The InChIKey is NNPZCTCWBXTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-8-4-5-15(13-18)19(23)14-20-16-9-11-21(12-10-16)17-6-2-1-3-7-17/h1-8,13,16,19-20,22-23H,9-12,14H2.
What are the key properties of 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol?
3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-[(1-phenylpiperidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 91038592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).