(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol

C11H16N2O2 — CID 175262082

IUPAC(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
SMILESONc1ccc(N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C11H16N2O2/c14-11-2-1-7-13(8-11)10-5-3-9(12-15)4-6-10/h3-6,11-12,14-15H,1-2,7-8H2/t11-/m0/s1
InChIKeyBALJDJWVSODOAI-NSHDSACASA-N
MW208.26 g/mol
LogP1.45
Rot. Bonds2

About (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol

(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol (PubChem CID 175262082) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
PubChem CID175262082
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
SMILESONc1ccc(N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C11H16N2O2/c14-11-2-1-7-13(8-11)10-5-3-9(12-15)4-6-10/h3-6,11-12,14-15H,1-2,7-8H2/t11-/m0/s1
InChIKeyBALJDJWVSODOAI-NSHDSACASA-N
XLogP1.45
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
CID 123879293
1-phenylpyrrolidin-3-ol
CID 11171152
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol (CID 175262082) is (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol is ONc1ccc(N2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol?
The InChIKey is BALJDJWVSODOAI-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-2-1-7-13(8-11)10-5-3-9(12-15)4-6-10/h3-6,11-12,14-15H,1-2,7-8H2/t11-/m0/s1.
What are the key properties of (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol?
(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol is sourced from PubChem (CID 175262082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).