2-amino-3-piperidin-4-ylphenol

C11H16N2O — CID 117103764

IUPAC2-amino-3-piperidin-4-ylphenol
SMILESNc1c(O)cccc1C1CCNCC1
InChIInChI=1S/C11H16N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7,12H2
InChIKeyKMEQXCHEIXMVCJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.44
Rot. Bonds1

About 2-amino-3-piperidin-4-ylphenol

2-amino-3-piperidin-4-ylphenol (PubChem CID 117103764) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-3-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-amino-3-piperidin-4-ylphenol
PubChem CID117103764
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-3-piperidin-4-ylphenol
SMILESNc1c(O)cccc1C1CCNCC1
InChIInChI=1S/C11H16N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7,12H2
InChIKeyKMEQXCHEIXMVCJ-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-bromo-6-piperidin-4-ylphenol
CID 82623407
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
3-amino-4-piperidin-4-ylphenol
CID 117103751
2,6-dicyclopropylaniline
CID 129249080
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
2,6-di(cyclobutyl)aniline
CID 172550384
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
2-piperazin-1-yl-6-piperidin-4-ylphenol
CID 165349860
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
2,6-di(cycloheptyl)aniline
CID 156891849

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-piperidin-4-ylphenol?
The IUPAC name of 2-amino-3-piperidin-4-ylphenol (CID 117103764) is 2-amino-3-piperidin-4-ylphenol.
What is the SMILES notation for 2-amino-3-piperidin-4-ylphenol?
The canonical SMILES for 2-amino-3-piperidin-4-ylphenol is Nc1c(O)cccc1C1CCNCC1.
What is the InChIKey of 2-amino-3-piperidin-4-ylphenol?
The InChIKey is KMEQXCHEIXMVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-9(2-1-3-10(11)14)8-4-6-13-7-5-8/h1-3,8,13-14H,4-7,12H2.
What are the key properties of 2-amino-3-piperidin-4-ylphenol?
2-amino-3-piperidin-4-ylphenol has a molecular weight of 192.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-piperidin-4-ylphenol is sourced from PubChem (CID 117103764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).