1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide

C14H20N2O3 — CID 79603233

IUPAC1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
SMILESCC(O)c1ccc(N2CCCC(C(N)=O)C2)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(17)12-5-4-11(7-13(12)18)16-6-2-3-10(8-16)14(15)19/h4-5,7,9-10,17-18H,2-3,6,8H2,1H3,(H2,15,19)
InChIKeyIZNJZSLVMHDZKR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds3

About 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide

1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide (PubChem CID 79603233) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
PubChem CID79603233
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
SMILESCC(O)c1ccc(N2CCCC(C(N)=O)C2)cc1O
InChIInChI=1S/C14H20N2O3/c1-9(17)12-5-4-11(7-13(12)18)16-6-2-3-10(8-16)14(15)19/h4-5,7,9-10,17-18H,2-3,6,8H2,1H3,(H2,15,19)
InChIKeyIZNJZSLVMHDZKR-UHFFFAOYSA-N
XLogP1.15
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
CID 79603845
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
2-(1-hydroxyethyl)-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103498532
2-(1-hydroxyethyl)-5-(4-methylpiperidin-1-yl)phenol
CID 79603318
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
4-[3-hydroxy-4-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889538
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide (CID 79603233) is 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide is CC(O)c1ccc(N2CCCC(C(N)=O)C2)cc1O.
What is the InChIKey of 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is IZNJZSLVMHDZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(17)12-5-4-11(7-13(12)18)16-6-2-3-10(8-16)14(15)19/h4-5,7,9-10,17-18H,2-3,6,8H2,1H3,(H2,15,19).
What are the key properties of 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide?
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 79603233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).