(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol

C14H20BrNO2 — CID 114069650

IUPAC(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCC(CO)CC2)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,10-11,17-18H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyJOYMDLAYLSPREW-SNVBAGLBSA-N
MW314.22 g/mol
LogP2.71
Rot. Bonds3

About (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol

(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 114069650) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID114069650
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCC(CO)CC2)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,10-11,17-18H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyJOYMDLAYLSPREW-SNVBAGLBSA-N
XLogP2.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.71
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

[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
1-[2-bromo-4-(3-methoxypyrrolidin-1-yl)phenyl]ethanol
CID 114069873
(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine
CID 114069005
(1S)-1-[2-bromo-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 114069717
2-(1-hydroxyethyl)-5-(4-propylpiperidin-1-yl)phenol
CID 79603248
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 104781713
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103498532
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol (CID 114069650) is (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol is C[C@@H](O)c1ccc(N2CCC(CO)CC2)cc1Br.
What is the InChIKey of (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is JOYMDLAYLSPREW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(18)13-3-2-12(8-14(13)15)16-6-4-11(9-17)5-7-16/h2-3,8,10-11,17-18H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 114069650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).