N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide

C15H22N2O2 — CID 112725664

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(13-8-4-5-9-14(13)18)16(2)15(19)17-10-6-3-7-11-17/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3
InChIKeyUAFWEVSLFCNIAD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.99
Rot. Bonds2

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide (PubChem CID 112725664) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
PubChem CID112725664
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-12(13-8-4-5-9-14(13)18)16(2)15(19)17-10-6-3-7-11-17/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3
InChIKeyUAFWEVSLFCNIAD-UHFFFAOYSA-N
XLogP2.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-hydroxyphenyl)ethyl]-N-methylazepane-1-sulfonamide
CID 61043938
N-[1-(2-hydroxyphenyl)ethyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106827698
N-[1-(2-hydroxyphenyl)ethyl]-N-methylimidazole-1-carboxamide
CID 81257273
1-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 54874342
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide (CID 112725664) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide is CC(c1ccccc1O)N(C)C(=O)N1CCCCC1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is UAFWEVSLFCNIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(13-8-4-5-9-14(13)18)16(2)15(19)17-10-6-3-7-11-17/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide?
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 112725664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).