4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol

C12H18N2O2 — CID 82617235

IUPAC4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
SMILESNCC1CNCCC1c1ccc(O)c(O)c1
InChIInChI=1S/C12H18N2O2/c13-6-9-7-14-4-3-10(9)8-1-2-11(15)12(16)5-8/h1-2,5,9-10,14-16H,3-4,6-7,13H2
InChIKeyBZMBKTFYZWENSX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.75
Rot. Bonds2

About 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol

4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol (PubChem CID 82617235) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
PubChem CID82617235
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
SMILESNCC1CNCCC1c1ccc(O)c(O)c1
InChIInChI=1S/C12H18N2O2/c13-6-9-7-14-4-3-10(9)8-1-2-11(15)12(16)5-8/h1-2,5,9-10,14-16H,3-4,6-7,13H2
InChIKeyBZMBKTFYZWENSX-UHFFFAOYSA-N
XLogP0.75
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
4-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610650
3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
4-[(3S,4S)-4-benzylpyrrolidin-3-yl]benzene-1,2-diol;hydrobromide
CID 70050237
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
CID 173046865
4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
4-[(4S)-3a,4,5,6,7,7a-hexahydrothieno[2,3-c]pyridin-4-yl]benzene-1,2-diol
CID 177305240
4-(4-bromo-3-methylphenyl)-3-propylpiperidine
CID 79321007

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol?
The IUPAC name of 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol (CID 82617235) is 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol is NCC1CNCCC1c1ccc(O)c(O)c1.
What is the InChIKey of 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol?
The InChIKey is BZMBKTFYZWENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-6-9-7-14-4-3-10(9)8-1-2-11(15)12(16)5-8/h1-2,5,9-10,14-16H,3-4,6-7,13H2.
What are the key properties of 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol?
4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol has a molecular weight of 222.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol is sourced from PubChem (CID 82617235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).