4-(1-hydroxy-1-piperidin-2-ylethyl)phenol

C13H19NO2 — CID 83075523

IUPAC4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCCCN1
InChIInChI=1S/C13H19NO2/c1-13(16,12-4-2-3-9-14-12)10-5-7-11(15)8-6-10/h5-8,12,14-16H,2-4,9H2,1H3
InChIKeyOVBLSMVUQGYFJU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds2

About 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol

4-(1-hydroxy-1-piperidin-2-ylethyl)phenol (PubChem CID 83075523) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
PubChem CID83075523
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
SMILESCC(O)(c1ccc(O)cc1)C1CCCCN1
InChIInChI=1S/C13H19NO2/c1-13(16,12-4-2-3-9-14-12)10-5-7-11(15)8-6-10/h5-8,12,14-16H,2-4,9H2,1H3
InChIKeyOVBLSMVUQGYFJU-UHFFFAOYSA-N
XLogP1.74
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
4-(1-cyclohexyl-1-hydroxyethyl)phenol
CID 83075432
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-(4-butoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 112512823
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
CID 105449092
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82291205
1-(5-methylthiophen-2-yl)-1-piperidin-2-ylethanol
CID 114910656
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
CID 135191521
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol?
The IUPAC name of 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol (CID 83075523) is 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol.
What is the SMILES notation for 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol?
The canonical SMILES for 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol is CC(O)(c1ccc(O)cc1)C1CCCCN1.
What is the InChIKey of 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol?
The InChIKey is OVBLSMVUQGYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16,12-4-2-3-9-14-12)10-5-7-11(15)8-6-10/h5-8,12,14-16H,2-4,9H2,1H3.
What are the key properties of 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol?
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-1-piperidin-2-ylethyl)phenol is sourced from PubChem (CID 83075523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).