3-amino-4-piperidin-4-ylphenol

C11H16N2O — CID 117103751

IUPAC3-amino-4-piperidin-4-ylphenol
SMILESNc1cc(O)ccc1C1CCNCC1
InChIInChI=1S/C11H16N2O/c12-11-7-9(14)1-2-10(11)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6,12H2
InChIKeyCRAYPWGNPVVOHQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.44
Rot. Bonds1

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

3-amino-4-piperidin-4-ylphenol (PubChem CID 117103751) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name3-amino-4-piperidin-4-ylphenol
PubChem CID117103751
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-4-piperidin-4-ylphenol
SMILESNc1cc(O)ccc1C1CCNCC1
InChIInChI=1S/C11H16N2O/c12-11-7-9(14)1-2-10(11)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6,12H2
InChIKeyCRAYPWGNPVVOHQ-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'}

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Related Compounds

3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
2-amino-3-piperidin-4-ylphenol
CID 117103764
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
4-amino-3-(oxan-4-yl)phenol
CID 117104375
2-bromo-6-piperidin-4-ylphenol
CID 82623407
3-(methoxymethyl)-4-piperidin-4-ylaniline
CID 166120409
3-pyrrolidin-3-ylphenol
CID 12937992
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-piperidin-4-ylphenol?
The IUPAC name of 3-amino-4-piperidin-4-ylphenol (CID 117103751) is 3-amino-4-piperidin-4-ylphenol.
What is the SMILES notation for 3-amino-4-piperidin-4-ylphenol?
The canonical SMILES for 3-amino-4-piperidin-4-ylphenol is Nc1cc(O)ccc1C1CCNCC1.
What is the InChIKey of 3-amino-4-piperidin-4-ylphenol?
The InChIKey is CRAYPWGNPVVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-7-9(14)1-2-10(11)8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6,12H2.
What are the key properties of 3-amino-4-piperidin-4-ylphenol?
3-amino-4-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 3-amino-4-piperidin-4-ylphenol is sourced from PubChem (CID 117103751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).