1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide

C17H27N3O2 — CID 35267203

IUPAC1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(CN2CCC(C(N)=O)CC2)c(O)c1
InChIInChI=1S/C17H27N3O2/c1-3-20(4-2)15-6-5-14(16(21)11-15)12-19-9-7-13(8-10-19)17(18)22/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H2,18,22)
InChIKeyAXQXUVDSVRTZLT-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.94
Rot. Bonds6

About 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide

1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide (PubChem CID 35267203) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide
PubChem CID35267203
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide
SMILESCCN(CC)c1ccc(CN2CCC(C(N)=O)CC2)c(O)c1
InChIInChI=1S/C17H27N3O2/c1-3-20(4-2)15-6-5-14(16(21)11-15)12-19-9-7-13(8-10-19)17(18)22/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H2,18,22)
InChIKeyAXQXUVDSVRTZLT-UHFFFAOYSA-N
XLogP1.94
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide (CID 35267203) is 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide is CCN(CC)c1ccc(CN2CCC(C(N)=O)CC2)c(O)c1.
What is the InChIKey of 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide?
The InChIKey is AXQXUVDSVRTZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-20(4-2)15-6-5-14(16(21)11-15)12-19-9-7-13(8-10-19)17(18)22/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H2,18,22).
What are the key properties of 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide?
1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)-2-hydroxyphenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 35267203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).