2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol

C16H25NO2 — CID 79603248

IUPAC2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
SMILESCCCC1CCN(c2ccc(C(C)O)c(O)c2)CC1
InChIInChI=1S/C16H25NO2/c1-3-4-13-7-9-17(10-8-13)14-5-6-15(12(2)18)16(19)11-14/h5-6,11-13,18-19H,3-4,7-10H2,1-2H3
InChIKeyDSTIHVRJKQYGCI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds4

About 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol

2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol (PubChem CID 79603248) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
PubChem CID79603248
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
SMILESCCCC1CCN(c2ccc(C(C)O)c(O)c2)CC1
InChIInChI=1S/C16H25NO2/c1-3-4-13-7-9-17(10-8-13)14-5-6-15(12(2)18)16(19)11-14/h5-6,11-13,18-19H,3-4,7-10H2,1-2H3
InChIKeyDSTIHVRJKQYGCI-UHFFFAOYSA-N
XLogP3.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103498532
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
4-(4-propylpiperidin-1-yl)phenol
CID 165358736
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114069650
(1S)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132070
1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132157
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-(4-ethylazepan-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79604082

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol (CID 79603248) is 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol is CCCC1CCN(c2ccc(C(C)O)c(O)c2)CC1.
What is the InChIKey of 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol?
The InChIKey is DSTIHVRJKQYGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-13-7-9-17(10-8-13)14-5-6-15(12(2)18)16(19)11-14/h5-6,11-13,18-19H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol?
2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol has a molecular weight of 263.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol is sourced from PubChem (CID 79603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).