1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol

C13H19NO2 — CID 63370794

IUPAC1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
SMILESC[C@H](O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1
InChIKeyLOGZUAXLOPYJDR-JTQLQIEISA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol

1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol (PubChem CID 63370794) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
PubChem CID63370794
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
SMILESC[C@H](O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1
InChIKeyLOGZUAXLOPYJDR-JTQLQIEISA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 63371777
(1R)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanol
CID 78940931
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
1-(4-pentan-2-ylphenyl)piperidin-4-ol
CID 166926420
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
(1S)-1-[4-(2,5-dihydropyrrol-1-yl)phenyl]ethanol
CID 130617448

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol (CID 63370794) is 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol is C[C@H](O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol?
The InChIKey is LOGZUAXLOPYJDR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,10,13,15-16H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol?
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 63370794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).