2-(1-benzylpiperidin-3-yl)oxyethanol

C14H21NO2 — CID 66563831

IUPAC2-(1-benzylpiperidin-3-yl)oxyethanol
SMILESOCCOC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-9-10-17-14-7-4-8-15(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyVYINATSXGHFSQT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds5

About 2-(1-benzylpiperidin-3-yl)oxyethanol

2-(1-benzylpiperidin-3-yl)oxyethanol (PubChem CID 66563831) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)oxyethanol
PubChem CID66563831
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-benzylpiperidin-3-yl)oxyethanol
SMILESOCCOC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-9-10-17-14-7-4-8-15(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyVYINATSXGHFSQT-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
CID 115882853
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
[(3S)-1-benzylpiperidin-3-yl] butanoate
CID 132566601
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-3-amino-3-[(3S)-1-benzylpiperidin-3-yl]propan-1-ol
CID 97168737
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689
(3R)-1-benzyl-3-(4-tert-butylphenoxy)piperidine
CID 59734571

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-3-yl)oxyethanol?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)oxyethanol (CID 66563831) is 2-(1-benzylpiperidin-3-yl)oxyethanol.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)oxyethanol?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)oxyethanol is OCCOC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)oxyethanol?
The InChIKey is VYINATSXGHFSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-9-10-17-14-7-4-8-15(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 2-(1-benzylpiperidin-3-yl)oxyethanol?
2-(1-benzylpiperidin-3-yl)oxyethanol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)oxyethanol is sourced from PubChem (CID 66563831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).