4-(1-piperidin-3-ylethyl)benzene-1,2-diol

C13H19NO2 — CID 83910552

IUPAC4-(1-piperidin-3-ylethyl)benzene-1,2-diol
SMILESCC(c1ccc(O)c(O)c1)C1CCCNC1
InChIInChI=1S/C13H19NO2/c1-9(11-3-2-6-14-8-11)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3
InChIKeyCQLPDWCGTHFULD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds2

About 4-(1-piperidin-3-ylethyl)benzene-1,2-diol

4-(1-piperidin-3-ylethyl)benzene-1,2-diol (PubChem CID 83910552) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(1-piperidin-3-ylethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-piperidin-3-ylethyl)benzene-1,2-diol
PubChem CID83910552
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(1-piperidin-3-ylethyl)benzene-1,2-diol
SMILESCC(c1ccc(O)c(O)c1)C1CCCNC1
InChIInChI=1S/C13H19NO2/c1-9(11-3-2-6-14-8-11)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3
InChIKeyCQLPDWCGTHFULD-UHFFFAOYSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(1-piperidin-3-ylethyl)phenol
CID 83908771
2-methoxy-4-(1-pyrrolidin-3-ylethyl)phenol
CID 83910561
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
4-(1-pyrrolidin-3-ylpropyl)benzene-1,2-diol
CID 83910553
3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484
(3R)-3-[bis(4-fluorophenyl)methyl]piperidine
CID 166747896
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209

Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-3-ylethyl)benzene-1,2-diol?
The IUPAC name of 4-(1-piperidin-3-ylethyl)benzene-1,2-diol (CID 83910552) is 4-(1-piperidin-3-ylethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-piperidin-3-ylethyl)benzene-1,2-diol?
The canonical SMILES for 4-(1-piperidin-3-ylethyl)benzene-1,2-diol is CC(c1ccc(O)c(O)c1)C1CCCNC1.
What is the InChIKey of 4-(1-piperidin-3-ylethyl)benzene-1,2-diol?
The InChIKey is CQLPDWCGTHFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(11-3-2-6-14-8-11)10-4-5-12(15)13(16)7-10/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3.
What are the key properties of 4-(1-piperidin-3-ylethyl)benzene-1,2-diol?
4-(1-piperidin-3-ylethyl)benzene-1,2-diol has a molecular weight of 221.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-3-ylethyl)benzene-1,2-diol is sourced from PubChem (CID 83910552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).