1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide

C14H20N2O2 — CID 55039017

IUPAC1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
SMILESCc1cc(N2CCCCC2C(N)=O)ccc1CO
InChIInChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-2-4-13(16)14(15)18/h5-6,8,13,17H,2-4,7,9H2,1H3,(H2,15,18)
InChIKeyXQQMTHXAXDZBIW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds3

About 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide

1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide (PubChem CID 55039017) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
PubChem CID55039017
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
SMILESCc1cc(N2CCCCC2C(N)=O)ccc1CO
InChIInChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-2-4-13(16)14(15)18/h5-6,8,13,17H,2-4,7,9H2,1H3,(H2,15,18)
InChIKeyXQQMTHXAXDZBIW-UHFFFAOYSA-N
XLogP1.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010
1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide
CID 62135549
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
1-(4-cyano-3-methylphenyl)pyrrolidine-2-carboxamide
CID 81281732
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
1-(4-amino-3-propoxyphenyl)piperidine-2-carboxamide
CID 63678334
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide (CID 55039017) is 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide is Cc1cc(N2CCCCC2C(N)=O)ccc1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide?
The InChIKey is XQQMTHXAXDZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-12(6-5-11(10)9-17)16-7-3-2-4-13(16)14(15)18/h5-6,8,13,17H,2-4,7,9H2,1H3,(H2,15,18).
What are the key properties of 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide?
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide is sourced from PubChem (CID 55039017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).