N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide

C14H20N2O2 — CID 126781786

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1CO)C1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-10-12-6-2-1-5-11(12)9-16-14(18)13-7-3-4-8-15-13/h1-2,5-6,13,15,17H,3-4,7-10H2,(H,16,18)
InChIKeyXFOPMNGQTZWSHU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds4

About N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 126781786) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID126781786
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1CO)C1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-10-12-6-2-1-5-11(12)9-16-14(18)13-7-3-4-8-15-13/h1-2,5-6,13,15,17H,3-4,7-10H2,(H,16,18)
InChIKeyXFOPMNGQTZWSHU-UHFFFAOYSA-N
XLogP0.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide (CID 126781786) is N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccccc1CO)C1CCCCN1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is XFOPMNGQTZWSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-12-6-2-1-5-11(12)9-16-14(18)13-7-3-4-8-15-13/h1-2,5-6,13,15,17H,3-4,7-10H2,(H,16,18).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 126781786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).