3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

C23H32N2O2 — CID 95543072

IUPAC3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESOCCCNCc1cccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c1
InChIInChI=1S/C23H32N2O2/c26-12-4-10-24-17-19-5-3-6-20(14-19)21-13-18(15-23(27)16-21)8-9-22-7-1-2-11-25-22/h3,5-6,13-16,22,24-27H,1-2,4,7-12,17H2/t22-/m1/s1
InChIKeyJZMPXXYTIFEHDI-JOCHJYFZSA-N
MW368.52 g/mol
LogP3.61
Rot. Bonds9

About 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol

3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (PubChem CID 95543072) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
PubChem CID95543072
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
SMILESOCCCNCc1cccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c1
InChIInChI=1S/C23H32N2O2/c26-12-4-10-24-17-19-5-3-6-20(14-19)21-13-18(15-23(27)16-21)8-9-22-7-1-2-11-25-22/h3,5-6,13-16,22,24-27H,1-2,4,7-12,17H2/t22-/m1/s1
InChIKeyJZMPXXYTIFEHDI-JOCHJYFZSA-N
XLogP3.61
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol (CID 95543072) is 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is OCCCNCc1cccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)c1.
What is the InChIKey of 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
The InChIKey is JZMPXXYTIFEHDI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-12-4-10-24-17-19-5-3-6-20(14-19)21-13-18(15-23(27)16-21)8-9-22-7-1-2-11-25-22/h3,5-6,13-16,22,24-27H,1-2,4,7-12,17H2/t22-/m1/s1.
What are the key properties of 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol?
3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol has a molecular weight of 368.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95543072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).