(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone

C13H17NO2 — CID 95442884

IUPAC(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
SMILESCOc1cccc(C(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H17NO2/c1-16-11-6-4-5-10(9-11)13(15)12-7-2-3-8-14-12/h4-6,9,12,14H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyHWMBGNZYSJIYGT-GFCCVEGCSA-N
MW219.28 g/mol
LogP2.02
Rot. Bonds3

About (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone

(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 95442884) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
PubChem CID95442884
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
SMILESCOc1cccc(C(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H17NO2/c1-16-11-6-4-5-10(9-11)13(15)12-7-2-3-8-14-12/h4-6,9,12,14H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyHWMBGNZYSJIYGT-GFCCVEGCSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
N-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 70940978
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
phenyl(piperidin-2-yl)methanone
CID 19772085
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560608
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone (CID 95442884) is (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone is COc1cccc(C(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is HWMBGNZYSJIYGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-11-6-4-5-10(9-11)13(15)12-7-2-3-8-14-12/h4-6,9,12,14H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone?
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone has a molecular weight of 219.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 95442884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).