(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol

C12H18N2O — CID 129380912

IUPAC(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ccccc2N)CC[C@@H]1O
InChIInChI=1S/C12H18N2O/c1-9-8-14(7-6-12(9)15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3/t9-,12-/m0/s1
InChIKeyGTKLBLFFMRNALZ-CABZTGNLSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds1

About (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol

(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol (PubChem CID 129380912) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
PubChem CID129380912
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
SMILESC[C@H]1CN(c2ccccc2N)CC[C@@H]1O
InChIInChI=1S/C12H18N2O/c1-9-8-14(7-6-12(9)15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3/t9-,12-/m0/s1
InChIKeyGTKLBLFFMRNALZ-CABZTGNLSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776
1-(2-amino-3-pyridinyl)-3-methylpiperidin-4-ol
CID 114677796
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
CID 114677744
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
CID 114677683

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol (CID 129380912) is (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol is C[C@H]1CN(c2ccccc2N)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol?
The InChIKey is GTKLBLFFMRNALZ-CABZTGNLSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-8-14(7-6-12(9)15)11-5-3-2-4-10(11)13/h2-5,9,12,15H,6-8,13H2,1H3/t9-,12-/m0/s1.
What are the key properties of (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol?
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 129380912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).