(2-methoxyphenyl)-piperidin-4-ylmethanone

C13H17NO2 — CID 20613843

IUPAC(2-methoxyphenyl)-piperidin-4-ylmethanone
SMILESCOc1ccccc1C(=O)C1CCNCC1
InChIInChI=1S/C13H17NO2/c1-16-12-5-3-2-4-11(12)13(15)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyBIIJJOUQCXABNI-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.88
Rot. Bonds3

About (2-methoxyphenyl)-piperidin-4-ylmethanone

(2-methoxyphenyl)-piperidin-4-ylmethanone (PubChem CID 20613843) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2-methoxyphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-piperidin-4-ylmethanone
PubChem CID20613843
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2-methoxyphenyl)-piperidin-4-ylmethanone
SMILESCOc1ccccc1C(=O)C1CCNCC1
InChIInChI=1S/C13H17NO2/c1-16-12-5-3-2-4-11(12)13(15)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3
InChIKeyBIIJJOUQCXABNI-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 46781364
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
tert-butyl formate;piperidin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 174725073
2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-methoxyphenyl)-piperidin-4-ylmethanone (CID 20613843) is (2-methoxyphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-methoxyphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-methoxyphenyl)-piperidin-4-ylmethanone is COc1ccccc1C(=O)C1CCNCC1.
What is the InChIKey of (2-methoxyphenyl)-piperidin-4-ylmethanone?
The InChIKey is BIIJJOUQCXABNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12-5-3-2-4-11(12)13(15)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3.
What are the key properties of (2-methoxyphenyl)-piperidin-4-ylmethanone?
(2-methoxyphenyl)-piperidin-4-ylmethanone has a molecular weight of 219.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 20613843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).