1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol

C15H23NO2 — CID 106836524

IUPAC1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2)CC1
InChIInChI=1S/C15H23NO2/c1-11(17)13-3-5-15(6-4-13)16-9-7-14(8-10-16)12(2)18/h3-6,11-12,14,17-18H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyFMPZNPHJNRDOLT-PXYINDEMSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds3

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

1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol (PubChem CID 106836524) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
PubChem CID106836524
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2)CC1
InChIInChI=1S/C15H23NO2/c1-11(17)13-3-5-15(6-4-13)16-9-7-14(8-10-16)12(2)18/h3-6,11-12,14,17-18H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyFMPZNPHJNRDOLT-PXYINDEMSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
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]pyrrolidin-3-yl]ethanol
CID 103942840
1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-ol
CID 63370794
(1S)-1-[4-(4-propan-2-ylazepan-1-yl)phenyl]ethanol
CID 78992796
(1R)-1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 78939752
(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-piperidin-1-ylphenyl)ethanol
CID 10104408
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
1-[4-[4-(4-bromophenyl)piperazin-1-yl]phenyl]ethanol
CID 137407146
1-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836651

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol (CID 106836524) is 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccc([C@H](C)O)cc2)CC1.
What is the InChIKey of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The InChIKey is FMPZNPHJNRDOLT-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(17)13-3-5-15(6-4-13)16-9-7-14(8-10-16)12(2)18/h3-6,11-12,14,17-18H,7-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).