1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide

C14H21N3O2 — CID 79600593

IUPAC1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(N2CCC(C(N)=O)CC2)cc1O
InChIInChI=1S/C14H21N3O2/c1-9(15)12-3-2-11(8-13(12)18)17-6-4-10(5-7-17)14(16)19/h2-3,8-10,18H,4-7,15H2,1H3,(H2,16,19)
InChIKeyHKGOSKSVXQGNEI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds3

About 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide

1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide (PubChem CID 79600593) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
PubChem CID79600593
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(N2CCC(C(N)=O)CC2)cc1O
InChIInChI=1S/C14H21N3O2/c1-9(15)12-3-2-11(8-13(12)18)17-6-4-10(5-7-17)14(16)19/h2-3,8-10,18H,4-7,15H2,1H3,(H2,16,19)
InChIKeyHKGOSKSVXQGNEI-UHFFFAOYSA-N
XLogP1.11
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
CID 82971943
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]piperidine-3-carboxamide
CID 79603233
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperidine-4-carboxamide
CID 83122876
2-(1-aminoethyl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenol
CID 79603996
2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
CID 79603647
4-[4-(1-aminoethyl)-3-hydroxyphenyl]piperazine-2,6-dione
CID 79603399
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
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-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
CID 45156919
1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
CID 79466325
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
CID 79603304

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide (CID 79600593) is 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide is CC(N)c1ccc(N2CCC(C(N)=O)CC2)cc1O.
What is the InChIKey of 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide?
The InChIKey is HKGOSKSVXQGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(15)12-3-2-11(8-13(12)18)17-6-4-10(5-7-17)14(16)19/h2-3,8-10,18H,4-7,15H2,1H3,(H2,16,19).
What are the key properties of 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide?
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 79600593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).