3-amino-4-[(3S)-piperidin-3-yl]phenol

C11H16N2O — CID 130631075

IUPAC3-amino-4-[(3S)-piperidin-3-yl]phenol
SMILESNc1cc(O)ccc1[C@@H]1CCCNC1
InChIInChI=1S/C11H16N2O/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7,12H2/t8-/m1/s1
InChIKeyUFQGSFUPGWXLOK-MRVPVSSYSA-N
MW192.26 g/mol
LogP1.44
Rot. Bonds1

About 3-amino-4-[(3S)-piperidin-3-yl]phenol

3-amino-4-[(3S)-piperidin-3-yl]phenol (PubChem CID 130631075) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-4-[(3S)-piperidin-3-yl]phenol.

Molecular Properties

Compound Name3-amino-4-[(3S)-piperidin-3-yl]phenol
PubChem CID130631075
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-4-[(3S)-piperidin-3-yl]phenol
SMILESNc1cc(O)ccc1[C@@H]1CCCNC1
InChIInChI=1S/C11H16N2O/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7,12H2/t8-/m1/s1
InChIKeyUFQGSFUPGWXLOK-MRVPVSSYSA-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-chloro-4-piperidin-3-ylphenol
CID 82612870
3-amino-4-piperidin-4-ylphenol
CID 117103751
4-chloro-3-piperidin-3-ylphenol
CID 84678781
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-hydroxy-2-pyrrolidin-3-ylbenzonitrile
CID 130001602
3-(2,4-dimethylphenyl)piperidine
CID 10535662
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3S)-piperidin-3-yl]phenol?
The IUPAC name of 3-amino-4-[(3S)-piperidin-3-yl]phenol (CID 130631075) is 3-amino-4-[(3S)-piperidin-3-yl]phenol.
What is the SMILES notation for 3-amino-4-[(3S)-piperidin-3-yl]phenol?
The canonical SMILES for 3-amino-4-[(3S)-piperidin-3-yl]phenol is Nc1cc(O)ccc1[C@@H]1CCCNC1.
What is the InChIKey of 3-amino-4-[(3S)-piperidin-3-yl]phenol?
The InChIKey is UFQGSFUPGWXLOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-6-9(14)3-4-10(11)8-2-1-5-13-7-8/h3-4,6,8,13-14H,1-2,5,7,12H2/t8-/m1/s1.
What are the key properties of 3-amino-4-[(3S)-piperidin-3-yl]phenol?
3-amino-4-[(3S)-piperidin-3-yl]phenol 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-[(3S)-piperidin-3-yl]phenol is sourced from PubChem (CID 130631075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).