2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol

C13H20N2O2 — CID 43130831

IUPAC2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
SMILESCC(c1cc(O)ccc1O)N1CCC(N)CC1
InChIInChI=1S/C13H20N2O2/c1-9(15-6-4-10(14)5-7-15)12-8-11(16)2-3-13(12)17/h2-3,8-10,16-17H,4-7,14H2,1H3
InChIKeyNKIAYWBKGJPYMP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.58
Rot. Bonds2

About 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol

2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol (PubChem CID 43130831) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
PubChem CID43130831
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
SMILESCC(c1cc(O)ccc1O)N1CCC(N)CC1
InChIInChI=1S/C13H20N2O2/c1-9(15-6-4-10(14)5-7-15)12-8-11(16)2-3-13(12)17/h2-3,8-10,16-17H,4-7,14H2,1H3
InChIKeyNKIAYWBKGJPYMP-UHFFFAOYSA-N
XLogP1.58
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[1-[1-(2,5-dihydroxyphenyl)ethyl]piperidin-4-yl]propanoic acid
CID 65062883
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,4-diol
CID 63263654
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
CID 115314817
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
CID 63596519
1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 43130891
4-methyl-2-[1-[4-(methylaminomethyl)piperidin-1-yl]ethyl]phenol
CID 63250598
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
4-bromo-2-[1-(4-ethylazepan-1-yl)ethyl]phenol
CID 82981102
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
1-[1-(2,5-dihydroxyphenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol (CID 43130831) is 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol is CC(c1cc(O)ccc1O)N1CCC(N)CC1.
What is the InChIKey of 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol?
The InChIKey is NKIAYWBKGJPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(15-6-4-10(14)5-7-15)12-8-11(16)2-3-13(12)17/h2-3,8-10,16-17H,4-7,14H2,1H3.
What are the key properties of 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol?
2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol has a molecular weight of 236.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol is sourced from PubChem (CID 43130831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).