(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H18N2O2 — CID 81095901

IUPAC(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-13(17)5-7-15(8-6-13)12(16)10-3-2-4-11(14)9-10/h2-4,9,17H,5-8,14H2,1H3
InChIKeyMSFLKWBZOOLRDA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds1

About (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81095901) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81095901
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-13(17)5-7-15(8-6-13)12(16)10-3-2-4-11(14)9-10/h2-4,9,17H,5-8,14H2,1H3
InChIKeyMSFLKWBZOOLRDA-UHFFFAOYSA-N
XLogP1.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
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

(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81095901) is (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cccc(N)c2)CC1.
What is the InChIKey of (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is MSFLKWBZOOLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(17)5-7-15(8-6-13)12(16)10-3-2-4-11(14)9-10/h2-4,9,17H,5-8,14H2,1H3.
What are the key properties of (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81095901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).