(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone

C14H19NO3 — CID 116811452

IUPAC(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCN1
InChIInChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)13(11)14(16)10-6-3-4-9-15-10/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyITQZZEOSBSBLFP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds4

About (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone

(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone (PubChem CID 116811452) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
PubChem CID116811452
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
SMILESCOc1cccc(OC)c1C(=O)C1CCCCN1
InChIInChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)13(11)14(16)10-6-3-4-9-15-10/h5,7-8,10,15H,3-4,6,9H2,1-2H3
InChIKeyITQZZEOSBSBLFP-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
azepan-2-yl-[2-(2-methoxyethoxy)phenyl]methanone
CID 116582652
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
phenyl(piperidin-2-yl)methanone
CID 19772085
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone?
The IUPAC name of (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone (CID 116811452) is (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone is COc1cccc(OC)c1C(=O)C1CCCCN1.
What is the InChIKey of (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone?
The InChIKey is ITQZZEOSBSBLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-11-7-5-8-12(18-2)13(11)14(16)10-6-3-4-9-15-10/h5,7-8,10,15H,3-4,6,9H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone?
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone has a molecular weight of 249.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 116811452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).