1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol

C12H18N2O2 — CID 123879293

IUPAC1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
SMILESCNc1cc(N2CCCC(O)C2)ccc1O
InChIInChI=1S/C12H18N2O2/c1-13-11-7-9(4-5-12(11)16)14-6-2-3-10(15)8-14/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3
InChIKeyGYGPFGOGTVZNLB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds2

About 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol

1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol (PubChem CID 123879293) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
PubChem CID123879293
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol
SMILESCNc1cc(N2CCCC(O)C2)ccc1O
InChIInChI=1S/C12H18N2O2/c1-13-11-7-9(4-5-12(11)16)14-6-2-3-10(15)8-14/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3
InChIKeyGYGPFGOGTVZNLB-UHFFFAOYSA-N
XLogP1.39
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
(3R)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 174597326
(3S)-1-[4-(hydroxyamino)phenyl]piperidin-3-ol
CID 175262082
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81278183
1-[3-bromo-4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 86806544

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol?
The IUPAC name of 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol (CID 123879293) is 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol?
The canonical SMILES for 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol is CNc1cc(N2CCCC(O)C2)ccc1O.
What is the InChIKey of 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol?
The InChIKey is GYGPFGOGTVZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11-7-9(4-5-12(11)16)14-6-2-3-10(15)8-14/h4-5,7,10,13,15-16H,2-3,6,8H2,1H3.
What are the key properties of 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol?
1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(methylamino)phenyl]piperidin-3-ol is sourced from PubChem (CID 123879293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).